3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine

C13H23N3O2S — CID 81195056

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine
SMILESCC(CCN)S(=O)(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H23N3O2S/c1-11(6-8-14)19(17,18)10-12-7-9-16(15-12)13-4-2-3-5-13/h7,9,11,13H,2-6,8,10,14H2,1H3
InChIKeyNCNONRCEKYORIB-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.65
Rot. Bonds6

About 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine

3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine (PubChem CID 81195056) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine
PubChem CID81195056
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine
SMILESCC(CCN)S(=O)(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H23N3O2S/c1-11(6-8-14)19(17,18)10-12-7-9-16(15-12)13-4-2-3-5-13/h7,9,11,13H,2-6,8,10,14H2,1H3
InChIKeyNCNONRCEKYORIB-UHFFFAOYSA-N
XLogP1.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
CID 81190022
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
2-[(1-cyclohexylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801326
2-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]-3-methylbutanoic acid
CID 105354630
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 64800221
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one
CID 116552125
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66217471
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine (CID 81195056) is 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine is CC(CCN)S(=O)(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine?
The InChIKey is NCNONRCEKYORIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11(6-8-14)19(17,18)10-12-7-9-16(15-12)13-4-2-3-5-13/h7,9,11,13H,2-6,8,10,14H2,1H3.
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine?
3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine is sourced from PubChem (CID 81195056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).