1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide

C20H27FN4O — CID 52510251

IUPAC1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2CCCN(C(C)C)C2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H27FN4O/c1-14(2)24-10-4-5-16(13-24)11-22-20(26)19-12-23-25(15(19)3)18-8-6-17(21)7-9-18/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3,(H,22,26)/t16-/m0/s1
InChIKeyCLDULGAWCNJXDM-INIZCTEOSA-N
MW358.46 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 52510251) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID52510251
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2CCCN(C(C)C)C2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H27FN4O/c1-14(2)24-10-4-5-16(13-24)11-22-20(26)19-12-23-25(15(19)3)18-8-6-17(21)7-9-18/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3,(H,22,26)/t16-/m0/s1
InChIKeyCLDULGAWCNJXDM-INIZCTEOSA-N
XLogP3.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 52790105
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119461896
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60614096
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 53464585
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide (CID 52510251) is 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC[C@@H]2CCCN(C(C)C)C2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is CLDULGAWCNJXDM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-14(2)24-10-4-5-16(13-24)11-22-20(26)19-12-23-25(15(19)3)18-8-6-17(21)7-9-18/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3,(H,22,26)/t16-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 52510251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).