1-(1-cyclopentylpyrazol-3-yl)butan-2-amine

C12H21N3 — CID 64785877

IUPAC1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
SMILESCCC(N)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H21N3/c1-2-10(13)9-11-7-8-15(14-11)12-5-3-4-6-12/h7-8,10,12H,2-6,9,13H2,1H3
InChIKeyDVXOTPRLJOPGRM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds4

About 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine

1-(1-cyclopentylpyrazol-3-yl)butan-2-amine (PubChem CID 64785877) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
PubChem CID64785877
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
SMILESCCC(N)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H21N3/c1-2-10(13)9-11-7-8-15(14-11)12-5-3-4-6-12/h7-8,10,12H,2-6,9,13H2,1H3
InChIKeyDVXOTPRLJOPGRM-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721334
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
1-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butan-2-amine
CID 66227990
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclopentylpyrazol-3-yl)-3-ethylheptan-2-amine
CID 104993863
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine (CID 64785877) is 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine is CCC(N)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine?
The InChIKey is DVXOTPRLJOPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-10(13)9-11-7-8-15(14-11)12-5-3-4-6-12/h7-8,10,12H,2-6,9,13H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 64785877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).