1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide

C18H19FN4O2 — CID 166409137

IUPAC1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2cnn(C3CCCC3)c2)ccc1F
InChIInChI=1S/C18H19FN4O2/c1-2-17(24)22-16-9-13(7-8-15(16)19)21-18(25)12-10-20-23(11-12)14-5-3-4-6-14/h2,7-11,14H,1,3-6H2,(H,21,25)(H,22,24)
InChIKeyCWNIVOLVXPFDPJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.51
Rot. Bonds5

About 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide

1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide (PubChem CID 166409137) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
PubChem CID166409137
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2cnn(C3CCCC3)c2)ccc1F
InChIInChI=1S/C18H19FN4O2/c1-2-17(24)22-16-9-13(7-8-15(16)19)21-18(25)12-10-20-23(11-12)14-5-3-4-6-14/h2,7-11,14H,1,3-6H2,(H,21,25)(H,22,24)
InChIKeyCWNIVOLVXPFDPJ-UHFFFAOYSA-N
XLogP3.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 166403649
1-(1,1-dioxothiolan-3-yl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-3-propan-2-ylpyrazole-4-carboxamide
CID 166404937
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166404942
tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 51090415
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 167951141
5-bromo-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 166405393
tert-butyl (2R)-2-[[4-fluoro-3-(prop-2-enoylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 166404912
5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 154838876
1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide
CID 154789264
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-3-(furan-3-yl)-1H-pyrazole-5-carboxamide
CID 166404947
N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide
CID 167947861
1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
CID 166405448

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide (CID 166409137) is 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide is C=CC(=O)Nc1cc(NC(=O)c2cnn(C3CCCC3)c2)ccc1F.
What is the InChIKey of 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide?
The InChIKey is CWNIVOLVXPFDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-2-17(24)22-16-9-13(7-8-15(16)19)21-18(25)12-10-20-23(11-12)14-5-3-4-6-14/h2,7-11,14H,1,3-6H2,(H,21,25)(H,22,24).
What are the key properties of 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide?
1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166409137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).