N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide

C18H19FN4O2 — CID 167848840

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc(F)cc1)c1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C18H19FN4O2/c1-2-18(25)23(10-13-3-5-14(19)6-4-13)16-9-20-22(11-16)12-17(24)21-15-7-8-15/h2-6,9,11,15H,1,7-8,10,12H2,(H,21,24)
InChIKeyCFVBXWPAFFNNKS-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.02
Rot. Bonds7

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide (PubChem CID 167848840) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
PubChem CID167848840
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc(F)cc1)c1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C18H19FN4O2/c1-2-18(25)23(10-13-3-5-14(19)6-4-13)16-9-20-22(11-16)12-17(24)21-15-7-8-15/h2-6,9,11,15H,1,7-8,10,12H2,(H,21,24)
InChIKeyCFVBXWPAFFNNKS-UHFFFAOYSA-N
XLogP2.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide 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-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
2-(4-aminopyrazol-1-yl)-N-(oxan-4-yl)acetamide
CID 43609571
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
N-benzyl-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 71957748
N-cyclopropyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760299
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119728672
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 143745573
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
N-cyclopropyl-2-[4-(hexan-3-ylamino)pyrazol-1-yl]acetamide
CID 103960972

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide (CID 167848840) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide is C=CC(=O)N(Cc1ccc(F)cc1)c1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is CFVBXWPAFFNNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-2-18(25)23(10-13-3-5-14(19)6-4-13)16-9-20-22(11-16)12-17(24)21-15-7-8-15/h2-6,9,11,15H,1,7-8,10,12H2,(H,21,24).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 342.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 167848840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).