N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine

C13H23N3 — CID 64761189

IUPACN-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CC(C)CCC1C
InChIInChI=1S/C13H23N3/c1-8-5-6-9(2)12(7-8)14-13-10(3)15-16-11(13)4/h8-9,12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyBYNHAIVXMPPJOE-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.26
Rot. Bonds2

About N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 64761189) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID64761189
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CC(C)CCC1C
InChIInChI=1S/C13H23N3/c1-8-5-6-9(2)12(7-8)14-13-10(3)15-16-11(13)4/h8-9,12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyBYNHAIVXMPPJOE-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 64761189) is N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1CC(C)CCC1C.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is BYNHAIVXMPPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-8-5-6-9(2)12(7-8)14-13-10(3)15-16-11(13)4/h8-9,12,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 64761189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).