1-cyclopentyl-3-propan-2-ylpyrazole

C11H18N2 — CID 66014136

IUPAC1-cyclopentyl-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(C2CCCC2)n1
InChIInChI=1S/C11H18N2/c1-9(2)11-7-8-13(12-11)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyNXRVKKROLCHSRF-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.12
Rot. Bonds2

About 1-cyclopentyl-3-propan-2-ylpyrazole

1-cyclopentyl-3-propan-2-ylpyrazole (PubChem CID 66014136) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-cyclopentyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-propan-2-ylpyrazole
PubChem CID66014136
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-cyclopentyl-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(C2CCCC2)n1
InChIInChI=1S/C11H18N2/c1-9(2)11-7-8-13(12-11)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyNXRVKKROLCHSRF-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
1-cyclohexyl-3-ethylpyrazole
CID 66014335
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
CID 81190022
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole
CID 79447968
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-propan-2-ylpyrazole?
The IUPAC name of 1-cyclopentyl-3-propan-2-ylpyrazole (CID 66014136) is 1-cyclopentyl-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-cyclopentyl-3-propan-2-ylpyrazole?
The canonical SMILES for 1-cyclopentyl-3-propan-2-ylpyrazole is CC(C)c1ccn(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-propan-2-ylpyrazole?
The InChIKey is NXRVKKROLCHSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)11-7-8-13(12-11)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-propan-2-ylpyrazole?
1-cyclopentyl-3-propan-2-ylpyrazole has a molecular weight of 178.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 66014136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).