1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine

C16H29N3 — CID 64779979

IUPAC1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-3-11-17-14(4-2)13-15-10-12-19(18-15)16-8-6-5-7-9-16/h10,12,14,16-17H,3-9,11,13H2,1-2H3
InChIKeyPCVNBRCXFKFHHW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.71
Rot. Bonds7

About 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine (PubChem CID 64779979) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
PubChem CID64779979
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-3-11-17-14(4-2)13-15-10-12-19(18-15)16-8-6-5-7-9-16/h10,12,14,16-17H,3-9,11,13H2,1-2H3
InChIKeyPCVNBRCXFKFHHW-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127665
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 64783953
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine (CID 64779979) is 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine is CCCNC(CC)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine?
The InChIKey is PCVNBRCXFKFHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-11-17-14(4-2)13-15-10-12-19(18-15)16-8-6-5-7-9-16/h10,12,14,16-17H,3-9,11,13H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 64779979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).