7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H25N3 — CID 136838968

IUPAC7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1cc2n(n1)C(C1CCCC1)CCN2
InChIInChI=1S/C15H25N3/c1-11(2)9-13-10-15-16-8-7-14(18(15)17-13)12-5-3-4-6-12/h10-12,14,16H,3-9H2,1-2H3
InChIKeyVVMROPVKHDIJPK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.63
Rot. Bonds3

About 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838968) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838968
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1cc2n(n1)C(C1CCCC1)CCN2
InChIInChI=1S/C15H25N3/c1-11(2)9-13-10-15-16-8-7-14(18(15)17-13)12-5-3-4-6-12/h10-12,14,16H,3-9H2,1-2H3
InChIKeyVVMROPVKHDIJPK-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136838955
2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841127
7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503
2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136847640
2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841078
3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
CID 136838919
2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838885
7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838483
7-(difluoromethyl)-2-(3-methylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012005
2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline
CID 136838350
2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838419
[2-(cyclohexylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methanamine
CID 137012013

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838968) is 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)Cc1cc2n(n1)C(C1CCCC1)CCN2.
What is the InChIKey of 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is VVMROPVKHDIJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)9-13-10-15-16-8-7-14(18(15)17-13)12-5-3-4-6-12/h10-12,14,16H,3-9H2,1-2H3.
What are the key properties of 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).