N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine

C16H29N3 — CID 65089861

IUPACN-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2CCCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H29N3/c1-5-19-12-15(11-17-19)18-14-8-6-7-13(9-10-14)16(2,3)4/h11-14,18H,5-10H2,1-4H3
InChIKeyYCEXCKSFBIQSIH-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.31
Rot. Bonds3

About N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine

N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine (PubChem CID 65089861) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine
PubChem CID65089861
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2CCCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H29N3/c1-5-19-12-15(11-17-19)18-14-8-6-7-13(9-10-14)16(2,3)4/h11-14,18H,5-10H2,1-4H3
InChIKeyYCEXCKSFBIQSIH-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(4-ethylcycloheptyl)pyrazol-4-amine
CID 65083881
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
4-[(1-ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine
CID 65089406
tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate
CID 174614220
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
CID 115777714
1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
CID 43728958
1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
CID 93112285
N-(2-cyclohexylcyclohexyl)-1-ethylpyrazol-4-amine
CID 43776995
N-(1-ethylpyrazol-4-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43543272
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine (CID 65089861) is N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine is CCn1cc(NC2CCCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine?
The InChIKey is YCEXCKSFBIQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19-12-15(11-17-19)18-14-8-6-7-13(9-10-14)16(2,3)4/h11-14,18H,5-10H2,1-4H3.
What are the key properties of N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine?
N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 65089861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).