N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine

C17H29N3 — CID 43776995

IUPACN-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2CCCCC2C2CCCCC2)cn1
InChIInChI=1S/C17H29N3/c1-2-20-13-15(12-18-20)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h12-14,16-17,19H,2-11H2,1H3
InChIKeyMWCALWVKJBBAKU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.45
Rot. Bonds4

About N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine

N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine (PubChem CID 43776995) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine
PubChem CID43776995
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2CCCCC2C2CCCCC2)cn1
InChIInChI=1S/C17H29N3/c1-2-20-13-15(12-18-20)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h12-14,16-17,19H,2-11H2,1H3
InChIKeyMWCALWVKJBBAKU-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
CID 93112285
4-[(1-ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
1-ethyl-N-(4-ethylcycloheptyl)pyrazol-4-amine
CID 65083881
N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine
CID 65089861
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
N-(2-adamantyl)-1-ethylpyrazol-4-amine
CID 43621713
N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
CID 115777714
N,1-diethylpyrazol-4-amine
CID 43543394
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-(1-ethylpyrazol-4-yl)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 136561367
1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
CID 60931524

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine (CID 43776995) is N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine is CCn1cc(NC2CCCCC2C2CCCCC2)cn1.
What is the InChIKey of N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine?
The InChIKey is MWCALWVKJBBAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-20-13-15(12-18-20)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h12-14,16-17,19H,2-11H2,1H3.
What are the key properties of N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine?
N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43776995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).