N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

C14H11FN4O — CID 136665414

IUPACN-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccc[nH]2)n[nH]1
InChIInChI=1S/C14H11FN4O/c15-9-3-5-10(6-4-9)17-14(20)13-8-12(18-19-13)11-2-1-7-16-11/h1-8,16H,(H,17,20)(H,18,19)
InChIKeyPXBJQHKGQUCRLF-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.80
Rot. Bonds3

About N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 136665414) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID136665414
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccc[nH]2)n[nH]1
InChIInChI=1S/C14H11FN4O/c15-9-3-5-10(6-4-9)17-14(20)13-8-12(18-19-13)11-2-1-7-16-11/h1-8,16H,(H,17,20)(H,18,19)
InChIKeyPXBJQHKGQUCRLF-UHFFFAOYSA-N
XLogP2.80
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6900541
N'-(4-Fluorobenzylidene)-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazide
CID 9594599
3-pyridin-2-yl-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127028973
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 156499994
5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxamide
CID 156500274
US10022354, Example 200
CID 132070229
(E)-3-methyl-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6886509
5-(4-fluorophenyl)-1,4-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 71580231
N-[(3-fluorophenyl)methyl]-2-[1-oxo-7-(1H-pyrazol-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
CID 72696779
N-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 91800712

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 136665414) is N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2ccc[nH]2)n[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PXBJQHKGQUCRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-9-3-5-10(6-4-9)17-14(20)13-8-12(18-19-13)11-2-1-7-16-11/h1-8,16H,(H,17,20)(H,18,19).
What are the key properties of N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136665414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).