1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H18FN5O — CID 55993003

IUPAC1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C21H18FN5O/c1-25(15-17-6-2-3-11-23-17)21(28)19-14-24-27(18-9-7-16(22)8-10-18)20(19)26-12-4-5-13-26/h2-14H,15H2,1H3
InChIKeySHMLMADSINVYRE-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 55993003) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID55993003
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C21H18FN5O/c1-25(15-17-6-2-3-11-23-17)21(28)19-14-24-27(18-9-7-16(22)8-10-18)20(19)26-12-4-5-13-26/h2-14H,15H2,1H3
InChIKeySHMLMADSINVYRE-UHFFFAOYSA-N
XLogP3.47
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 6623611
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CID 52564643
N-butyl-N-ethyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30387025
1-(4-fluorophenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 166249127
3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 55957769
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
N-[(2S)-butan-2-yl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 26745598
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
N-butyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 52666453
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38230240
N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 39898328
5-amino-N-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43565776

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 55993003) is 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CN(Cc1ccccn1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is SHMLMADSINVYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-25(15-17-6-2-3-11-23-17)21(28)19-14-24-27(18-9-7-16(22)8-10-18)20(19)26-12-4-5-13-26/h2-14H,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55993003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).