1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide

C23H25FN4O — CID 134026351

IUPAC1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)cnn1-c1ccccc1F
InChIInChI=1S/C23H25FN4O/c1-17-19(15-25-28(17)22-12-6-4-10-20(22)24)23(29)26(2)16-18-9-3-5-11-21(18)27-13-7-8-14-27/h3-6,9-12,15H,7-8,13-14,16H2,1-2H3
InChIKeyBHCYENRALHQNAP-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.19
Rot. Bonds5

About 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 134026351) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID134026351
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)cnn1-c1ccccc1F
InChIInChI=1S/C23H25FN4O/c1-17-19(15-25-28(17)22-12-6-4-10-20(22)24)23(29)26(2)16-18-9-3-5-11-21(18)27-13-7-8-14-27/h3-6,9-12,15H,7-8,13-14,16H2,1-2H3
InChIKeyBHCYENRALHQNAP-UHFFFAOYSA-N
XLogP4.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 134047410
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 109399843
N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813721
1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 71850172
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
CID 111596653
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 55521884
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide
CID 55822528

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide (CID 134026351) is 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is BHCYENRALHQNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-17-19(15-25-28(17)22-12-6-4-10-20(22)24)23(29)26(2)16-18-9-3-5-11-21(18)27-13-7-8-14-27/h3-6,9-12,15H,7-8,13-14,16H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134026351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).