N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine

C11H19N3 — CID 64725037

IUPACN-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine
SMILESCC1CC(C)CC(Nc2cn[nH]c2)C1
InChIInChI=1S/C11H19N3/c1-8-3-9(2)5-10(4-8)14-11-6-12-13-7-11/h6-10,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyFBYLZWPHIYDWOQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.65
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine

N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine (PubChem CID 64725037) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine
PubChem CID64725037
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine
SMILESCC1CC(C)CC(Nc2cn[nH]c2)C1
InChIInChI=1S/C11H19N3/c1-8-3-9(2)5-10(4-8)14-11-6-12-13-7-11/h6-10,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyFBYLZWPHIYDWOQ-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine (CID 64725037) is N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine is CC1CC(C)CC(Nc2cn[nH]c2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine?
The InChIKey is FBYLZWPHIYDWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-3-9(2)5-10(4-8)14-11-6-12-13-7-11/h6-10,14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine?
N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 64725037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).