1-methyl-4-propan-2-ylpyrazol-5-amine

C7H13N3 — CID 20823874

IUPAC1-methyl-4-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cnn(C)c1N
InChIInChI=1S/C7H13N3/c1-5(2)6-4-9-10(3)7(6)8/h4-5H,8H2,1-3H3
InChIKeyGWGLWFYYHAQJRN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.13
Rot. Bonds1

About 1-methyl-4-propan-2-ylpyrazol-5-amine

1-methyl-4-propan-2-ylpyrazol-5-amine (PubChem CID 20823874) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpyrazol-5-amine
PubChem CID20823874
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-methyl-4-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cnn(C)c1N
InChIInChI=1S/C7H13N3/c1-5(2)6-4-9-10(3)7(6)8/h4-5H,8H2,1-3H3
InChIKeyGWGLWFYYHAQJRN-UHFFFAOYSA-N
XLogP1.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-4-propan-2-ylpyrazol-5-amine (CID 20823874) is 1-methyl-4-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-4-propan-2-ylpyrazol-5-amine is CC(C)c1cnn(C)c1N.
What is the InChIKey of 1-methyl-4-propan-2-ylpyrazol-5-amine?
The InChIKey is GWGLWFYYHAQJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)6-4-9-10(3)7(6)8/h4-5H,8H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylpyrazol-5-amine?
1-methyl-4-propan-2-ylpyrazol-5-amine has a molecular weight of 139.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 20823874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).