N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22N6O — CID 137441548

IUPACN-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C19H22N6O/c1-11-6-12(2)8-14(7-11)22-16-9-17(20-3)25-18(24-16)15(10-21-25)19(26)23-13-4-5-13/h6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyFFGWVYWABNYHRI-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.02
Rot. Bonds5

About N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441548) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441548
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C19H22N6O/c1-11-6-12(2)8-14(7-11)22-16-9-17(20-3)25-18(24-16)15(10-21-25)19(26)23-13-4-5-13/h6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyFFGWVYWABNYHRI-UHFFFAOYSA-N
XLogP3.02
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441548) is N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FFGWVYWABNYHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-11-6-12(2)8-14(7-11)22-16-9-17(20-3)25-18(24-16)15(10-21-25)19(26)23-13-4-5-13/h6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).