6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19ClN4O — CID 3272468

IUPAC6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CC3)cnn2c(C)c1Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN4O/c1-11-15(9-13-5-3-4-6-17(13)20)12(2)24-18(22-11)16(10-21-24)19(25)23-14-7-8-14/h3-6,10,14H,7-9H2,1-2H3,(H,23,25)
InChIKeyUQXRPLKJXYAOSE-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.48
Rot. Bonds4

About 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3272468) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3272468
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC3CC3)cnn2c(C)c1Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN4O/c1-11-15(9-13-5-3-4-6-17(13)20)12(2)24-18(22-11)16(10-21-24)19(25)23-14-7-8-14/h3-6,10,14H,7-9H2,1-2H3,(H,23,25)
InChIKeyUQXRPLKJXYAOSE-UHFFFAOYSA-N
XLogP3.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3272468) is 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC3CC3)cnn2c(C)c1Cc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UQXRPLKJXYAOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-11-15(9-13-5-3-4-6-17(13)20)12(2)24-18(22-11)16(10-21-24)19(25)23-14-7-8-14/h3-6,10,14H,7-9H2,1-2H3,(H,23,25).
What are the key properties of 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3272468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).