N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H15ClN6O — CID 155909032

IUPACN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3ncccn3n2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C18H15ClN6O/c1-12-9-17(25(22-12)11-13-5-2-3-6-14(13)19)21-18(26)15-10-16-20-7-4-8-24(16)23-15/h2-10H,11H2,1H3,(H,21,26)
InChIKeyUPPQGGGDJUZPHA-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.19
Rot. Bonds4

About N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 155909032) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID155909032
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC NameN-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3ncccn3n2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C18H15ClN6O/c1-12-9-17(25(22-12)11-13-5-2-3-6-14(13)19)21-18(26)15-10-16-20-7-4-8-24(16)23-15/h2-10H,11H2,1H3,(H,21,26)
InChIKeyUPPQGGGDJUZPHA-UHFFFAOYSA-N
XLogP3.19
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315682
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide
CID 155916587
(3S,4S)-N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 5302832
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416921
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416922
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679660
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 19335243
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820641

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 155909032) is N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cc3ncccn3n2)n(Cc2ccccc2Cl)n1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UPPQGGGDJUZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-12-9-17(25(22-12)11-13-5-2-3-6-14(13)19)21-18(26)15-10-16-20-7-4-8-24(16)23-15/h2-10H,11H2,1H3,(H,21,26).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155909032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).