5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine

C11H21N3 — CID 115921318

IUPAC5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine
SMILESCCCC(C)Nc1n[nH]c(CC)c1C
InChIInChI=1S/C11H21N3/c1-5-7-8(3)12-11-9(4)10(6-2)13-14-11/h8H,5-7H2,1-4H3,(H2,12,13,14)
InChIKeyGUQKZDUNWWIAHD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.88
Rot. Bonds5

About 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine

5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine (PubChem CID 115921318) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine
PubChem CID115921318
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine
SMILESCCCC(C)Nc1n[nH]c(CC)c1C
InChIInChI=1S/C11H21N3/c1-5-7-8(3)12-11-9(4)10(6-2)13-14-11/h8H,5-7H2,1-4H3,(H2,12,13,14)
InChIKeyGUQKZDUNWWIAHD-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine (CID 115921318) is 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine is CCCC(C)Nc1n[nH]c(CC)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine?
The InChIKey is GUQKZDUNWWIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-7-8(3)12-11-9(4)10(6-2)13-14-11/h8H,5-7H2,1-4H3,(H2,12,13,14).
What are the key properties of 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-pentan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 115921318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).