N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C15H12F2N4O2 — CID 143588726

IUPACN-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc(CO)n2nccc2n1
InChIInChI=1S/C15H12F2N4O2/c16-11-2-1-9(5-12(11)17)7-18-15(23)13-6-10(8-22)21-14(20-13)3-4-19-21/h1-6,22H,7-8H2,(H,18,23)
InChIKeyADHBHMBUONXBLJ-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.43
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 143588726) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID143588726
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc(CO)n2nccc2n1
InChIInChI=1S/C15H12F2N4O2/c16-11-2-1-9(5-12(11)17)7-18-15(23)13-6-10(8-22)21-14(20-13)3-4-19-21/h1-6,22H,7-8H2,(H,18,23)
InChIKeyADHBHMBUONXBLJ-UHFFFAOYSA-N
XLogP1.43
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetic acid
CID 59462863
7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461363
N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040792
4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 91178075
5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 90695501
4-[[[5-[(3-fluoro-4-phosphanylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 143588654
methyl 4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylate
CID 59460882
7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110850843
dimethyl pyrazolo[1,5-a]pyrimidine-5,7-dicarboxylate;methane;methyl 7-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 158473485
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851790
7-N-[(3-acetyl-4-fluorophenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462813

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 143588726) is N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cc(CO)n2nccc2n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is ADHBHMBUONXBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c16-11-2-1-9(5-12(11)17)7-18-15(23)13-6-10(8-22)21-14(20-13)3-4-19-21/h1-6,22H,7-8H2,(H,18,23).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 143588726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).