2-butyl-N-(2-methylpentyl)pyrazol-3-amine

C13H25N3 — CID 115909262

IUPAC2-butyl-N-(2-methylpentyl)pyrazol-3-amine
SMILESCCCCn1nccc1NCC(C)CCC
InChIInChI=1S/C13H25N3/c1-4-6-10-16-13(8-9-15-16)14-11-12(3)7-5-2/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyHKHWWAALCJTDDY-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds8

About 2-butyl-N-(2-methylpentyl)pyrazol-3-amine

2-butyl-N-(2-methylpentyl)pyrazol-3-amine (PubChem CID 115909262) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-butyl-N-(2-methylpentyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-butyl-N-(2-methylpentyl)pyrazol-3-amine
PubChem CID115909262
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-butyl-N-(2-methylpentyl)pyrazol-3-amine
SMILESCCCCn1nccc1NCC(C)CCC
InChIInChI=1S/C13H25N3/c1-4-6-10-16-13(8-9-15-16)14-11-12(3)7-5-2/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyHKHWWAALCJTDDY-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylbutyl)-2-propylpyrazol-3-amine
CID 115924285
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 103542631
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine
CID 115908857
N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine
CID 115926056
1-butyl-5-ethylpyrazole
CID 23006159
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
N-heptan-2-yl-2-methylpyrazol-3-amine
CID 115921288
2-butyl-N-(thiolan-3-yl)pyrazol-3-amine
CID 115926085
N-(2-methylpentyl)-4-pyrazol-1-ylaniline
CID 43688134
1-[2,6-di(propan-2-yl)phenyl]-3-(2-undecylpyrazol-3-yl)urea
CID 19812020

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-methylpentyl)pyrazol-3-amine?
The IUPAC name of 2-butyl-N-(2-methylpentyl)pyrazol-3-amine (CID 115909262) is 2-butyl-N-(2-methylpentyl)pyrazol-3-amine.
What is the SMILES notation for 2-butyl-N-(2-methylpentyl)pyrazol-3-amine?
The canonical SMILES for 2-butyl-N-(2-methylpentyl)pyrazol-3-amine is CCCCn1nccc1NCC(C)CCC.
What is the InChIKey of 2-butyl-N-(2-methylpentyl)pyrazol-3-amine?
The InChIKey is HKHWWAALCJTDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-10-16-13(8-9-15-16)14-11-12(3)7-5-2/h8-9,12,14H,4-7,10-11H2,1-3H3.
What are the key properties of 2-butyl-N-(2-methylpentyl)pyrazol-3-amine?
2-butyl-N-(2-methylpentyl)pyrazol-3-amine has a molecular weight of 223.36 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2-methylpentyl)pyrazol-3-amine is sourced from PubChem (CID 115909262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).