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

C7H13N3 — CID 19620081

IUPAC3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1N
InChIInChI=1S/C7H13N3/c1-5(2)10-4-7(8)6(3)9-10/h4-5H,8H2,1-3H3
InChIKeySWUPMMXJWOXOTI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.35
Rot. Bonds1

About 3-methyl-1-propan-2-ylpyrazol-4-amine

3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 19620081) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID19620081
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1N
InChIInChI=1S/C7H13N3/c1-5(2)10-4-7(8)6(3)9-10/h4-5H,8H2,1-3H3
InChIKeySWUPMMXJWOXOTI-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-1-propan-2-ylpyrazol-4-amine (CID 19620081) is 3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)cc1N.
What is the InChIKey of 3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is SWUPMMXJWOXOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)10-4-7(8)6(3)9-10/h4-5H,8H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylpyrazol-4-amine?
3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 139.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 19620081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).