N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C14H11FN4O — CID 110851345

IUPACN-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnc2ccnn12
InChIInChI=1S/C14H11FN4O/c15-11-3-1-10(2-4-11)9-17-14(20)12-5-7-16-13-6-8-18-19(12)13/h1-8H,9H2,(H,17,20)
InChIKeyWIXPNTQJNHVIBL-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.80
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 110851345) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID110851345
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnc2ccnn12
InChIInChI=1S/C14H11FN4O/c15-11-3-1-10(2-4-11)9-17-14(20)12-5-7-16-13-6-8-18-19(12)13/h1-8H,9H2,(H,17,20)
InChIKeyWIXPNTQJNHVIBL-UHFFFAOYSA-N
XLogP1.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851660
2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 19506738
4-[[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 59462917
N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858618
N-[2-(1H-indol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110853433
4-[[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-1-methylcyclohex-3-ene-1-carboxylic acid
CID 70852287
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
2-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetic acid
CID 59462863
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 110851345) is N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1ccnc2ccnn12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is WIXPNTQJNHVIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-3-1-10(2-4-11)9-17-14(20)12-5-7-16-13-6-8-18-19(12)13/h1-8H,9H2,(H,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 110851345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).