1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole

C17H29N3 — CID 66467443

IUPAC1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
SMILESCC(C)CC1(Cc2ccn(C3CCCC3)n2)CCCN1
InChIInChI=1S/C17H29N3/c1-14(2)12-17(9-5-10-18-17)13-15-8-11-20(19-15)16-6-3-4-7-16/h8,11,14,16,18H,3-7,9-10,12-13H2,1-2H3
InChIKeyVPXWMQIQXNYAMT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.71
Rot. Bonds5

About 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole

1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole (PubChem CID 66467443) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
PubChem CID66467443
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
SMILESCC(C)CC1(Cc2ccn(C3CCCC3)n2)CCCN1
InChIInChI=1S/C17H29N3/c1-14(2)12-17(9-5-10-18-17)13-15-8-11-20(19-15)16-6-3-4-7-16/h8,11,14,16,18H,3-7,9-10,12-13H2,1-2H3
InChIKeyVPXWMQIQXNYAMT-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 82878266
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane
CID 79119222
N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798023
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450001
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
CID 79761396
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The IUPAC name of 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole (CID 66467443) is 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The canonical SMILES for 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole is CC(C)CC1(Cc2ccn(C3CCCC3)n2)CCCN1.
What is the InChIKey of 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
The InChIKey is VPXWMQIQXNYAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(2)12-17(9-5-10-18-17)13-15-8-11-20(19-15)16-6-3-4-7-16/h8,11,14,16,18H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole?
1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole has a molecular weight of 275.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole is sourced from PubChem (CID 66467443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).