5-(2-methylpropyl)-1H-pyrazol-3-amine

C7H13N3 — CID 23552428

IUPAC5-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C7H13N3/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3H2,1-2H3,(H3,8,9,10)
InChIKeyQDBRDMCFYCUCPL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.19
Rot. Bonds2

About 5-(2-methylpropyl)-1H-pyrazol-3-amine

5-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 23552428) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID23552428
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C7H13N3/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3H2,1-2H3,(H3,8,9,10)
InChIKeyQDBRDMCFYCUCPL-UHFFFAOYSA-N
XLogP1.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methylpropyl)-1H-pyrazol-3-amine (CID 23552428) is 5-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methylpropyl)-1H-pyrazol-3-amine is CC(C)Cc1cc(N)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is QDBRDMCFYCUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3H2,1-2H3,(H3,8,9,10).
What are the key properties of 5-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 23552428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).