5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

C16H19FN4O — CID 120599770

IUPAC5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn[nH]c2-c2ccccc2F)CCN1
InChIInChI=1S/C16H19FN4O/c1-10-8-11(6-7-18-10)20-16(22)13-9-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyVWTBXDSFUSNWEN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.09
Rot. Bonds3

About 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 120599770) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID120599770
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn[nH]c2-c2ccccc2F)CCN1
InChIInChI=1S/C16H19FN4O/c1-10-8-11(6-7-18-10)20-16(22)13-9-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyVWTBXDSFUSNWEN-UHFFFAOYSA-N
XLogP2.09
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599794
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
5-(2-fluorophenyl)-N-(1-oxa-4-azaspiro[5.5]undecan-9-yl)-1H-pyrazole-4-carboxamide
CID 166286588
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
5-(2-fluorophenyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 154841420
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 155948751
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (CID 120599770) is 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is CC1CC(NC(=O)c2cn[nH]c2-c2ccccc2F)CCN1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is VWTBXDSFUSNWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-10-8-11(6-7-18-10)20-16(22)13-9-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 120599770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).