3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H17ClN6O — CID 46971732

IUPAC3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1n[nH]c(C)c1Cc1ccc(NC(=O)c2nn3cccnc3c2Cl)cc1
InChIInChI=1S/C19H17ClN6O/c1-11-15(12(2)24-23-11)10-13-4-6-14(7-5-13)22-19(27)17-16(20)18-21-8-3-9-26(18)25-17/h3-9H,10H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyLNGWTZYVYWGVRP-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.57
Rot. Bonds4

About 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46971732) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46971732
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1n[nH]c(C)c1Cc1ccc(NC(=O)c2nn3cccnc3c2Cl)cc1
InChIInChI=1S/C19H17ClN6O/c1-11-15(12(2)24-23-11)10-13-4-6-14(7-5-13)22-19(27)17-16(20)18-21-8-3-9-26(18)25-17/h3-9H,10H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyLNGWTZYVYWGVRP-UHFFFAOYSA-N
XLogP3.57
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 46971732) is 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1n[nH]c(C)c1Cc1ccc(NC(=O)c2nn3cccnc3c2Cl)cc1.
What is the InChIKey of 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LNGWTZYVYWGVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-11-15(12(2)24-23-11)10-13-4-6-14(7-5-13)22-19(27)17-16(20)18-21-8-3-9-26(18)25-17/h3-9H,10H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46971732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).