4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine

C15H27N3 — CID 60761293

IUPAC4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
SMILESCCC1CCC(NCCCc2cn[nH]c2C)CC1
InChIInChI=1S/C15H27N3/c1-3-13-6-8-15(9-7-13)16-10-4-5-14-11-17-18-12(14)2/h11,13,15-16H,3-10H2,1-2H3,(H,17,18)
InChIKeyOFDDYMVRBBCRHX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds6

About 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine

4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine (PubChem CID 60761293) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
PubChem CID60761293
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
SMILESCCC1CCC(NCCCc2cn[nH]c2C)CC1
InChIInChI=1S/C15H27N3/c1-3-13-6-8-15(9-7-13)16-10-4-5-14-11-17-18-12(14)2/h11,13,15-16H,3-10H2,1-2H3,(H,17,18)
InChIKeyOFDDYMVRBBCRHX-UHFFFAOYSA-N
XLogP3.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561852
4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide
CID 62037922
2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
CID 60762679
(5R)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]spiro[5.5]undecan-5-amine
CID 99783571
1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 64917592
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine
CID 136520484
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43663529
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62065650
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703899
(1R)-6-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,3-dihydro-1H-inden-1-amine
CID 97066400

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine (CID 60761293) is 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine is CCC1CCC(NCCCc2cn[nH]c2C)CC1.
What is the InChIKey of 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine?
The InChIKey is OFDDYMVRBBCRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-13-6-8-15(9-7-13)16-10-4-5-14-11-17-18-12(14)2/h11,13,15-16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine?
4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 60761293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).