6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21ClN4O — CID 4109359

IUPAC6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC(C)C)cnn2c(C)c1Cc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN4O/c1-11(2)22-19(25)17-10-21-24-13(4)16(12(3)23-18(17)24)9-14-6-5-7-15(20)8-14/h5-8,10-11H,9H2,1-4H3,(H,22,25)
InChIKeyDAWSKRZROPIBPN-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.73
Rot. Bonds4

About 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4109359) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4109359
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC(C)C)cnn2c(C)c1Cc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN4O/c1-11(2)22-19(25)17-10-21-24-13(4)16(12(3)23-18(17)24)9-14-6-5-7-15(20)8-14/h5-8,10-11H,9H2,1-4H3,(H,22,25)
InChIKeyDAWSKRZROPIBPN-UHFFFAOYSA-N
XLogP3.73
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4109359) is 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC(C)C)cnn2c(C)c1Cc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DAWSKRZROPIBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-11(2)22-19(25)17-10-21-24-13(4)16(12(3)23-18(17)24)9-14-6-5-7-15(20)8-14/h5-8,10-11H,9H2,1-4H3,(H,22,25).
What are the key properties of 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 356.86 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4109359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).