2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

C17H31N3O — CID 114664693

IUPAC2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCCn1ncc(OC)c1C(C)(C)C1CCC(C)CC1NC
InChIInChI=1S/C17H31N3O/c1-7-20-16(15(21-6)11-19-20)17(3,4)13-9-8-12(2)10-14(13)18-5/h11-14,18H,7-10H2,1-6H3
InChIKeyNWFCJIQKZLAMCO-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (PubChem CID 114664693) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
PubChem CID114664693
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCCn1ncc(OC)c1C(C)(C)C1CCC(C)CC1NC
InChIInChI=1S/C17H31N3O/c1-7-20-16(15(21-6)11-19-20)17(3,4)13-9-8-12(2)10-14(13)18-5/h11-14,18H,7-10H2,1-6H3
InChIKeyNWFCJIQKZLAMCO-UHFFFAOYSA-N
XLogP3.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 114664684
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114667004
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666430
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
N,5-dimethyl-2-[2-(1-propylimidazol-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64764623
3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine
CID 114664731
4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909
1-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)pentan-2-ol
CID 114637770
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047693
2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 64766100

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (CID 114664693) is 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is CCn1ncc(OC)c1C(C)(C)C1CCC(C)CC1NC.
What is the InChIKey of 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The InChIKey is NWFCJIQKZLAMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-20-16(15(21-6)11-19-20)17(3,4)13-9-8-12(2)10-14(13)18-5/h11-14,18H,7-10H2,1-6H3.
What are the key properties of 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 114664693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).