N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine

C13H23N3 — CID 91009522

IUPACN-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCC2CCCCC2)c1C
InChIInChI=1S/C13H23N3/c1-3-12-10(2)13(16-15-12)14-9-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyOTLQBLJZWWEWMM-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.27
Rot. Bonds4

About N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine

N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine (PubChem CID 91009522) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine
PubChem CID91009522
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCC2CCCCC2)c1C
InChIInChI=1S/C13H23N3/c1-3-12-10(2)13(16-15-12)14-9-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyOTLQBLJZWWEWMM-UHFFFAOYSA-N
XLogP3.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine (CID 91009522) is N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine is CCc1[nH]nc(NCC2CCCCC2)c1C.
What is the InChIKey of N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine?
The InChIKey is OTLQBLJZWWEWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12-10(2)13(16-15-12)14-9-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H2,14,15,16).
What are the key properties of N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine?
N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 91009522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).