3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine

C13H23N3 — CID 64779459

IUPAC3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H23N3/c1-14-10-5-6-12-9-11-16(15-12)13-7-3-2-4-8-13/h9,11,13-14H,2-8,10H2,1H3
InChIKeyURFDQIGRSGTTBX-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.54
Rot. Bonds5

About 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine

3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine (PubChem CID 64779459) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
PubChem CID64779459
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H23N3/c1-14-10-5-6-12-9-11-16(15-12)13-7-3-2-4-8-13/h9,11,13-14H,2-8,10H2,1H3
InChIKeyURFDQIGRSGTTBX-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine
CID 79598946
6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
3-(4-chloroheptyl)-1-cyclohexylpyrazole
CID 64778760
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
CID 64777007
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine (CID 64779459) is 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine is CNCCCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine?
The InChIKey is URFDQIGRSGTTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14-10-5-6-12-9-11-16(15-12)13-7-3-2-4-8-13/h9,11,13-14H,2-8,10H2,1H3.
What are the key properties of 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine?
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 64779459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).