1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide

C18H23FN4O — CID 2813250

IUPAC1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCN(C)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-13-17(12-20-23(13)16-6-4-14(19)5-7-16)18(24)22(3)15-8-10-21(2)11-9-15/h4-7,12,15H,8-11H2,1-3H3
InChIKeyPAZLPZQZBMFLGW-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 2813250) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID2813250
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCN(C)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-13-17(12-20-23(13)16-6-4-14(19)5-7-16)18(24)22(3)15-8-10-21(2)11-9-15/h4-7,12,15H,8-11H2,1-3H3
InChIKeyPAZLPZQZBMFLGW-UHFFFAOYSA-N
XLogP2.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 2813250) is 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)C2CCN(C)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is PAZLPZQZBMFLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13-17(12-20-23(13)16-6-4-14(19)5-7-16)18(24)22(3)15-8-10-21(2)11-9-15/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 2813250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).