4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine

C16H29N3 — CID 60958007

IUPAC4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2cn(C)nc2C(C)C)CC1
InChIInChI=1S/C16H29N3/c1-5-13-6-8-15(9-7-13)17-10-14-11-19(4)18-16(14)12(2)3/h11-13,15,17H,5-10H2,1-4H3
InChIKeyRUQXVXCVPVNPDJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.60
Rot. Bonds5

About 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine

4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 60958007) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID60958007
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2cn(C)nc2C(C)C)CC1
InChIInChI=1S/C16H29N3/c1-5-13-6-8-15(9-7-13)17-10-14-11-19(4)18-16(14)12(2)3/h11-13,15,17H,5-10H2,1-4H3
InChIKeyRUQXVXCVPVNPDJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine
CID 115614407
2,2,6,6-tetramethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 43769646
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
CID 43791284
2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79862119
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763566
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 65196831
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 60958007) is 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine is CCC1CCC(NCc2cn(C)nc2C(C)C)CC1.
What is the InChIKey of 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is RUQXVXCVPVNPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-13-6-8-15(9-7-13)17-10-14-11-19(4)18-16(14)12(2)3/h11-13,15,17H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine?
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60958007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).