(1-propylpyrazol-3-yl)methanamine

C7H13N3 — CID 19576818

IUPAC(1-propylpyrazol-3-yl)methanamine
SMILESCCCn1ccc(CN)n1
InChIInChI=1S/C7H13N3/c1-2-4-10-5-3-7(6-8)9-10/h3,5H,2,4,6,8H2,1H3
InChIKeyAXPZHWVYVNNIRF-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.75
Rot. Bonds3

About (1-propylpyrazol-3-yl)methanamine

(1-propylpyrazol-3-yl)methanamine (PubChem CID 19576818) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (1-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-propylpyrazol-3-yl)methanamine
PubChem CID19576818
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(1-propylpyrazol-3-yl)methanamine
SMILESCCCn1ccc(CN)n1
InChIInChI=1S/C7H13N3/c1-2-4-10-5-3-7(6-8)9-10/h3,5H,2,4,6,8H2,1H3
InChIKeyAXPZHWVYVNNIRF-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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Related Compounds

3-(bromomethyl)-1-propylpyrazole
CID 122165667
3-(bromomethyl)-1-propylpyrazole;hydrobromide
CID 126965597
3-butyl-1-propylpyrazole
CID 90936272
3-(methoxymethyl)-1-propylpyrazole
CID 66016916
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
3-(propan-2-yloxymethyl)-1-propylpyrazole
CID 122170479
3-(butan-2-yloxymethyl)-1-propylpyrazole
CID 122170516
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
3-(3-propylpyrazol-1-yl)propan-1-ol
CID 90288358
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
3-(3-ethylpyrazol-1-yl)propanamide
CID 142785643
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 165470187

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-3-yl)methanamine?
The IUPAC name of (1-propylpyrazol-3-yl)methanamine (CID 19576818) is (1-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (1-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (1-propylpyrazol-3-yl)methanamine is CCCn1ccc(CN)n1.
What is the InChIKey of (1-propylpyrazol-3-yl)methanamine?
The InChIKey is AXPZHWVYVNNIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-4-10-5-3-7(6-8)9-10/h3,5H,2,4,6,8H2,1H3.
What are the key properties of (1-propylpyrazol-3-yl)methanamine?
(1-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 (1-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 19576818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).