1-tert-butyl-N-cyclohexylpyrazol-4-amine

C13H23N3 — CID 115777696

IUPAC1-tert-butyl-N-cyclohexylpyrazol-4-amine
SMILESCC(C)(C)n1cc(NC2CCCCC2)cn1
InChIInChI=1S/C13H23N3/c1-13(2,3)16-10-12(9-14-16)15-11-7-5-4-6-8-11/h9-11,15H,4-8H2,1-3H3
InChIKeyWUZWDUAAHVUNHI-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.38
Rot. Bonds2

About 1-tert-butyl-N-cyclohexylpyrazol-4-amine

1-tert-butyl-N-cyclohexylpyrazol-4-amine (PubChem CID 115777696) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-tert-butyl-N-cyclohexylpyrazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-cyclohexylpyrazol-4-amine
PubChem CID115777696
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-tert-butyl-N-cyclohexylpyrazol-4-amine
SMILESCC(C)(C)n1cc(NC2CCCCC2)cn1
InChIInChI=1S/C13H23N3/c1-13(2,3)16-10-12(9-14-16)15-11-7-5-4-6-8-11/h9-11,15H,4-8H2,1-3H3
InChIKeyWUZWDUAAHVUNHI-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-N-(thian-4-yl)pyrazol-4-amine
CID 115777699
N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
CID 115777714
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
N-cycloheptyl-1-piperidin-4-ylpyrazol-4-amine
CID 82932629
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
N-cyclohexyl-6-methylpyridin-3-amine
CID 75355981
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
N-(4-tert-butylcycloheptyl)-1-ethylpyrazol-4-amine
CID 65089861

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-cyclohexylpyrazol-4-amine?
The IUPAC name of 1-tert-butyl-N-cyclohexylpyrazol-4-amine (CID 115777696) is 1-tert-butyl-N-cyclohexylpyrazol-4-amine.
What is the SMILES notation for 1-tert-butyl-N-cyclohexylpyrazol-4-amine?
The canonical SMILES for 1-tert-butyl-N-cyclohexylpyrazol-4-amine is CC(C)(C)n1cc(NC2CCCCC2)cn1.
What is the InChIKey of 1-tert-butyl-N-cyclohexylpyrazol-4-amine?
The InChIKey is WUZWDUAAHVUNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)16-10-12(9-14-16)15-11-7-5-4-6-8-11/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-N-cyclohexylpyrazol-4-amine?
1-tert-butyl-N-cyclohexylpyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-cyclohexylpyrazol-4-amine is sourced from PubChem (CID 115777696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).