(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide

C24H39N5 — CID 174102989

IUPAC(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide
SMILESC/C=C\C(=N/C(=C/CC)N1CC(CC)(CC(C)CC)C1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C24H39N5/c1-6-10-21(25-22-14-20(27-28-22)19-12-13-19)26-23(11-7-2)29-16-24(9-4,17-29)15-18(5)8-3/h6,10-11,14,18-19H,7-9,12-13,15-17H2,1-5H3,(H2,25,26,27,28)/b10-6-,23-11-
InChIKeyDIKDIIMBSBBFCH-KTUBEFRDSA-N
MW397.61 g/mol
LogP6.07
Rot. Bonds10

About (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide

(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide (PubChem CID 174102989) has the molecular formula C24H39N5 and a molecular weight of 397.61 g/mol. Its IUPAC name is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide
PubChem CID174102989
Molecular FormulaC24H39N5
Molecular Weight397.61 g/mol
Exact Mass397.32
IUPAC Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide
SMILESC/C=C\C(=N/C(=C/CC)N1CC(CC)(CC(C)CC)C1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C24H39N5/c1-6-10-21(25-22-14-20(27-28-22)19-12-13-19)26-23(11-7-2)29-16-24(9-4,17-29)15-18(5)8-3/h6,10-11,14,18-19H,7-9,12-13,15-17H2,1-5H3,(H2,25,26,27,28)/b10-6-,23-11-
InChIKeyDIKDIIMBSBBFCH-KTUBEFRDSA-N
XLogP6.07
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.61
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide 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

(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
CID 169170079
(Z)-N'-[(E)-1-[3-aminopropyl(methyl)amino]pent-1-enyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide;ethene
CID 169170223
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene
CID 169170308
(Z)-3-[[(4Z,6E)-6-chloroocta-4,6-dien-3-ylidene]amino]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethylpent-3-enamide
CID 169245362
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methyl-4-oxoheptanamide
CID 169245129
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119794268
N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
CID 171719219
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4,4-bis(4-methylphenyl)but-3-enamide
CID 22176967
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
CID 63048865
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 22176930
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide?
The IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide (CID 174102989) is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide?
The canonical SMILES for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide is C/C=C\C(=N/C(=C/CC)N1CC(CC)(CC(C)CC)C1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide?
The InChIKey is DIKDIIMBSBBFCH-KTUBEFRDSA-N. The full InChI is InChI=1S/C24H39N5/c1-6-10-21(25-22-14-20(27-28-22)19-12-13-19)26-23(11-7-2)29-16-24(9-4,17-29)15-18(5)8-3/h6,10-11,14,18-19H,7-9,12-13,15-17H2,1-5H3,(H2,25,26,27,28)/b10-6-,23-11-.
What are the key properties of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide?
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide has a molecular weight of 397.61 g/mol, XLogP of 6.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide is sourced from PubChem (CID 174102989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).