(2-propylpyrazol-3-yl)methanamine

C7H13N3 — CID 19576790

IUPAC(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CN
InChIInChI=1S/C7H13N3/c1-2-5-10-7(6-8)3-4-9-10/h3-4H,2,5-6,8H2,1H3
InChIKeyBZOLWCPFLURXIV-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.75
Rot. Bonds3

About (2-propylpyrazol-3-yl)methanamine

(2-propylpyrazol-3-yl)methanamine (PubChem CID 19576790) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)methanamine
PubChem CID19576790
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CN
InChIInChI=1S/C7H13N3/c1-2-5-10-7(6-8)3-4-9-10/h3-4H,2,5-6,8H2,1H3
InChIKeyBZOLWCPFLURXIV-UHFFFAOYSA-N
XLogP0.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (2-propylpyrazol-3-yl)methanamine (CID 19576790) is (2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-propylpyrazol-3-yl)methanamine is CCCn1nccc1CN.
What is the InChIKey of (2-propylpyrazol-3-yl)methanamine?
The InChIKey is BZOLWCPFLURXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-5-10-7(6-8)3-4-9-10/h3-4H,2,5-6,8H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)methanamine?
(2-propylpyrazol-3-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 19576790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).