5-methyl-4-propan-2-yl-1H-pyrazol-3-amine

C7H13N3 — CID 83528765

IUPAC5-methyl-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1C(C)C
InChIInChI=1S/C7H13N3/c1-4(2)6-5(3)9-10-7(6)8/h4H,1-3H3,(H3,8,9,10)
InChIKeyLTUSECNCRNSSEB-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.42
Rot. Bonds1

About 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine

5-methyl-4-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 83528765) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1H-pyrazol-3-amine
PubChem CID83528765
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-methyl-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1C(C)C
InChIInChI=1S/C7H13N3/c1-4(2)6-5(3)9-10-7(6)8/h4H,1-3H3,(H3,8,9,10)
InChIKeyLTUSECNCRNSSEB-UHFFFAOYSA-N
XLogP1.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine (CID 83528765) is 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is LTUSECNCRNSSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-4(2)6-5(3)9-10-7(6)8/h4H,1-3H3,(H3,8,9,10).
What are the key properties of 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine?
5-methyl-4-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 83528765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).