(1-propan-2-ylpyrazol-4-yl)methanamine

C7H13N3 — CID 23005591

IUPAC(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1cc(CN)cn1
InChIInChI=1S/C7H13N3/c1-6(2)10-5-7(3-8)4-9-10/h4-6H,3,8H2,1-2H3
InChIKeyVMNKYEWGKWZUNI-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds2

About (1-propan-2-ylpyrazol-4-yl)methanamine

(1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 23005591) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID23005591
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1cc(CN)cn1
InChIInChI=1S/C7H13N3/c1-6(2)10-5-7(3-8)4-9-10/h4-6H,3,8H2,1-2H3
InChIKeyVMNKYEWGKWZUNI-UHFFFAOYSA-N
XLogP0.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of (1-propan-2-ylpyrazol-4-yl)methanamine (CID 23005591) is (1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-propan-2-ylpyrazol-4-yl)methanamine is CC(C)n1cc(CN)cn1.
What is the InChIKey of (1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is VMNKYEWGKWZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)10-5-7(3-8)4-9-10/h4-6H,3,8H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrazol-4-yl)methanamine?
(1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 23005591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).