4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline

C19H24FN7 — CID 144694687

IUPAC4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline
SMILES[H]/N=C(/c1cc(C(=C/N)/C=N/[H])ccc1N)c1cc(N2CC[C@@H](CF)C2)nn1C
InChIInChI=1S/C19H24FN7/c1-26-17(7-18(25-26)27-5-4-12(8-20)11-27)19(24)15-6-13(2-3-16(15)23)14(9-21)10-22/h2-3,6-7,9-10,12,21,24H,4-5,8,11,22-23H2,1H3/b14-10+,21-9+,24-19-/t12-/m0/s1
InChIKeyKPBZNNVDEPRDRE-OVBHDFBMSA-N
MW369.45 g/mol
LogP2.16
Rot. Bonds6

About 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline

4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline (PubChem CID 144694687) has the molecular formula C19H24FN7 and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline.

Molecular Properties

Compound Name4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline
PubChem CID144694687
Molecular FormulaC19H24FN7
Molecular Weight369.45 g/mol
Exact Mass369.21
IUPAC Name4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline
SMILES[H]/N=C(/c1cc(C(=C/N)/C=N/[H])ccc1N)c1cc(N2CC[C@@H](CF)C2)nn1C
InChIInChI=1S/C19H24FN7/c1-26-17(7-18(25-26)27-5-4-12(8-20)11-27)19(24)15-6-13(2-3-16(15)23)14(9-21)10-22/h2-3,6-7,9-10,12,21,24H,4-5,8,11,22-23H2,1H3/b14-10+,21-9+,24-19-/t12-/m0/s1
InChIKeyKPBZNNVDEPRDRE-OVBHDFBMSA-N
XLogP2.16
TPSA120.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[1-methyl-3-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrazole-5-carboximidoyl]aniline
CID 144694716
4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 153099789
2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen
CID 144694407
5-[4-amino-3-(1-methyl-3-morpholin-4-ylpyrazole-5-carboximidoyl)phenyl]-2-imino-N-methylpyridin-1-amine;molecular hydrogen
CID 144694758
[(3S)-1-[6-[2-amino-5-(2-methoxyethoxy)benzenecarboximidoyl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 130372429
4-[[3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]methyl]piperidine-1-carbaldehyde
CID 171500040
(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine
CID 131969524
2-[2-[(3R)-3-methylpyrrolidin-1-yl]pyridine-4-carboximidoyl]-4-(trifluoromethoxy)aniline
CID 144697617
(3S)-1-[4-(2-amino-5-cyclopropyloxybenzenecarboximidoyl)-2-pyridinyl]pyrrolidin-3-ol
CID 131969653
4-ethoxy-2-[1-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboximidoyl]aniline;molecular hydrogen
CID 144694418
(3R)-1-[6-[2-amino-5-(2-methoxyethoxy)benzenecarboximidoyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 144697096
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
CID 121201019

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline?
The IUPAC name of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline (CID 144694687) is 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline.
What is the SMILES notation for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline?
The canonical SMILES for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline is [H]/N=C(/c1cc(C(=C/N)/C=N/[H])ccc1N)c1cc(N2CC[C@@H](CF)C2)nn1C.
What is the InChIKey of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline?
The InChIKey is KPBZNNVDEPRDRE-OVBHDFBMSA-N. The full InChI is InChI=1S/C19H24FN7/c1-26-17(7-18(25-26)27-5-4-12(8-20)11-27)19(24)15-6-13(2-3-16(15)23)14(9-21)10-22/h2-3,6-7,9-10,12,21,24H,4-5,8,11,22-23H2,1H3/b14-10+,21-9+,24-19-/t12-/m0/s1.
What are the key properties of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline?
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline has a molecular weight of 369.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline is sourced from PubChem (CID 144694687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).