1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine

C16H29N3 — CID 104993857

IUPAC1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1ccn(C2CCCC2)n1)NC
InChIInChI=1S/C16H29N3/c1-4-7-13(2)16(17-3)12-14-10-11-19(18-14)15-8-5-6-9-15/h10-11,13,15-17H,4-9,12H2,1-3H3
InChIKeyBAEJGVJNMYODCJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds7

About 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine (PubChem CID 104993857) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
PubChem CID104993857
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1ccn(C2CCCC2)n1)NC
InChIInChI=1S/C16H29N3/c1-4-7-13(2)16(17-3)12-14-10-11-19(18-14)15-8-5-6-9-15/h10-11,13,15-17H,4-9,12H2,1-3H3
InChIKeyBAEJGVJNMYODCJ-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
CID 64778824
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-(1-cyclohexylpyrazol-3-yl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720039
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
N-[2-[(1-cyclopentylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64779466
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65129377

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine (CID 104993857) is 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine is CCCC(C)C(Cc1ccn(C2CCCC2)n1)NC.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine?
The InChIKey is BAEJGVJNMYODCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-7-13(2)16(17-3)12-14-10-11-19(18-14)15-8-5-6-9-15/h10-11,13,15-17H,4-9,12H2,1-3H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 7 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)-N,3-dimethylhexan-2-amine is sourced from PubChem (CID 104993857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).