N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H22N4 — CID 2006272

IUPACN-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H22N4/c1-13-12-17(21-16-10-6-7-11-16)23-19(20-13)18(14(2)22-23)15-8-4-3-5-9-15/h3-5,8-9,12,16,21H,6-7,10-11H2,1-2H3
InChIKeyQVXSMTHKFBACMS-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.37
Rot. Bonds3

About N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2006272) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2006272
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H22N4/c1-13-12-17(21-16-10-6-7-11-16)23-19(20-13)18(14(2)22-23)15-8-4-3-5-9-15/h3-5,8-9,12,16,21H,6-7,10-11H2,1-2H3
InChIKeyQVXSMTHKFBACMS-UHFFFAOYSA-N
XLogP4.37
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

PP121
CID 24905142
Enmd-2076
CID 16041424
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
(R)-Zinc-3573
CID 95882507
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2006272) is N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QVXSMTHKFBACMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-12-17(21-16-10-6-7-11-16)23-19(20-13)18(14(2)22-23)15-8-4-3-5-9-15/h3-5,8-9,12,16,21H,6-7,10-11H2,1-2H3.
What are the key properties of N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 306.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2006272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).