5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine

C9H17N3 — CID 165492934

IUPAC5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine
SMILESCCC(c1cc(N)n[nH]1)C(C)C
InChIInChI=1S/C9H17N3/c1-4-7(6(2)3)8-5-9(10)12-11-8/h5-7H,4H2,1-3H3,(H3,10,11,12)
InChIKeyJWTZXUPTPQLEMC-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.14
Rot. Bonds3

About 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine

5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine (PubChem CID 165492934) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine
PubChem CID165492934
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine
SMILESCCC(c1cc(N)n[nH]1)C(C)C
InChIInChI=1S/C9H17N3/c1-4-7(6(2)3)8-5-9(10)12-11-8/h5-7H,4H2,1-3H3,(H3,10,11,12)
InChIKeyJWTZXUPTPQLEMC-UHFFFAOYSA-N
XLogP2.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine (CID 165492934) is 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine is CCC(c1cc(N)n[nH]1)C(C)C.
What is the InChIKey of 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine?
The InChIKey is JWTZXUPTPQLEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-7(6(2)3)8-5-9(10)12-11-8/h5-7H,4H2,1-3H3,(H3,10,11,12).
What are the key properties of 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine?
5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 165492934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).