N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine

C15H27N3 — CID 64801340

IUPACN-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCCC(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C15H27N3/c1-4-16-14-7-5-6-13(10-14)11-15-8-9-18(17-15)12(2)3/h8-9,12-14,16H,4-7,10-11H2,1-3H3
InChIKeyQCOVTUWZULBDPX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.17
Rot. Bonds5

About N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine

N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 64801340) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID64801340
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCCC(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C15H27N3/c1-4-16-14-7-5-6-13(10-14)11-15-8-9-18(17-15)12(2)3/h8-9,12-14,16H,4-7,10-11H2,1-3H3
InChIKeyQCOVTUWZULBDPX-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
CID 64801922
3-[(3-chlorocyclohexyl)methyl]-1-propan-2-ylpyrazole
CID 64801732
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 82870644
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(chloromethyl)cyclohexan-1-amine
CID 112752753
3-[(3-bromocyclohexyl)methyl]-1-butan-2-ylpyrazole
CID 64778951
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
3-[(3-bromocycloheptyl)methyl]-1-butan-2-ylpyrazole
CID 64778953
N-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxamide
CID 106779584
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 64801340) is N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine is CCNC1CCCC(Cc2ccn(C(C)C)n2)C1.
What is the InChIKey of N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is QCOVTUWZULBDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-16-14-7-5-6-13(10-14)11-15-8-9-18(17-15)12(2)3/h8-9,12-14,16H,4-7,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine?
N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64801340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).