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

C16H23N5 — CID 136841114

IUPAC2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(C2CCNc3cc(C4CCCC4)nn32)cn1
InChIInChI=1S/C16H23N5/c1-2-20-11-13(10-18-20)15-7-8-17-16-9-14(19-21(15)16)12-5-3-4-6-12/h9-12,15,17H,2-8H2,1H3
InChIKeyMTVBQHDCHZFKHE-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.16
Rot. Bonds3

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

2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841114) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841114
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(C2CCNc3cc(C4CCCC4)nn32)cn1
InChIInChI=1S/C16H23N5/c1-2-20-11-13(10-18-20)15-7-8-17-16-9-14(19-21(15)16)12-5-3-4-6-12/h9-12,15,17H,2-8H2,1H3
InChIKeyMTVBQHDCHZFKHE-UHFFFAOYSA-N
XLogP3.16
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841107
(2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841109
2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841108
2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841127
(2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 136841253
7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709452
2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841112
2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710128
methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837842
7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838903
2-(2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136837431
2-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
CID 62595255

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841114) is 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCn1cc(C2CCNc3cc(C4CCCC4)nn32)cn1.
What is the InChIKey of 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MTVBQHDCHZFKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-20-11-13(10-18-20)15-7-8-17-16-9-14(19-21(15)16)12-5-3-4-6-12/h9-12,15,17H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 285.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).