4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine

C13H23N3 — CID 81013541

IUPAC4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H23N3/c1-11(6-8-14)10-12-7-9-16(15-12)13-4-2-3-5-13/h7,9,11,13H,2-6,8,10,14H2,1H3
InChIKeyVDRZQWOEFKZRGY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.53
Rot. Bonds5

About 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine

4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine (PubChem CID 81013541) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
PubChem CID81013541
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H23N3/c1-11(6-8-14)10-12-7-9-16(15-12)13-4-2-3-5-13/h7,9,11,13H,2-6,8,10,14H2,1H3
InChIKeyVDRZQWOEFKZRGY-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine
CID 81195056
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
CID 112569583
3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
CID 107443067
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine (CID 81013541) is 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine is CC(CCN)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine?
The InChIKey is VDRZQWOEFKZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(6-8-14)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 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine?
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 81013541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).