N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C19H19FN4O — CID 33383595

IUPACN-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CCC1)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C19H19FN4O/c20-16-8-1-2-9-17(16)24-19(23-10-3-4-11-23)15(13-22-24)18(25)21-12-14-6-5-7-14/h1-4,8-11,13-14H,5-7,12H2,(H,21,25)
InChIKeyNIYGWQQPNVJHRP-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.33
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 33383595) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID33383595
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CCC1)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C19H19FN4O/c20-16-8-1-2-9-17(16)24-19(23-10-3-4-11-23)15(13-22-24)18(25)21-12-14-6-5-7-14/h1-4,8-11,13-14H,5-7,12H2,(H,21,25)
InChIKeyNIYGWQQPNVJHRP-UHFFFAOYSA-N
XLogP3.33
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 166285161
methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
CID 39642778
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39638732
1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 39628848
N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 37036339
[(1R,3S)-3-methoxycyclohexyl] 1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate
CID 99784735
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 55890675
1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 38442047
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55964680

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 33383595) is N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NCC1CCC1)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is NIYGWQQPNVJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-8-1-2-9-17(16)24-19(23-10-3-4-11-23)15(13-22-24)18(25)21-12-14-6-5-7-14/h1-4,8-11,13-14H,5-7,12H2,(H,21,25).
What are the key properties of N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 33383595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).