1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide

C17H22FN5O — CID 119446091

IUPAC1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCNCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O/c1-13-16(12-21-23(13)15-4-2-14(18)3-5-15)17(24)20-8-11-22-9-6-19-7-10-22/h2-5,12,19H,6-11H2,1H3,(H,20,24)
InChIKeyDYYUOVNYXKFUFW-UHFFFAOYSA-N
MW331.39 g/mol
LogP0.95
Rot. Bonds5

About 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 119446091) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID119446091
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCNCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O/c1-13-16(12-21-23(13)15-4-2-14(18)3-5-15)17(24)20-8-11-22-9-6-19-7-10-22/h2-5,12,19H,6-11H2,1H3,(H,20,24)
InChIKeyDYYUOVNYXKFUFW-UHFFFAOYSA-N
XLogP0.95
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119447017
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
1-(4-fluorophenyl)-2,5-dimethyl-N-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 119393216
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55662571
N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39627748

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide (CID 119446091) is 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCN2CCNCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is DYYUOVNYXKFUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-13-16(12-21-23(13)15-4-2-14(18)3-5-15)17(24)20-8-11-22-9-6-19-7-10-22/h2-5,12,19H,6-11H2,1H3,(H,20,24).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119446091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).