(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine

C9H17N3 — CID 19620896

IUPAC(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine
SMILESCCCn1nc(C)c(CN)c1C
InChIInChI=1S/C9H17N3/c1-4-5-12-8(3)9(6-10)7(2)11-12/h4-6,10H2,1-3H3
InChIKeyFBVYPJIXOJSHCX-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.37
Rot. Bonds3

About (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine

(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine (PubChem CID 19620896) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine
PubChem CID19620896
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine
SMILESCCCn1nc(C)c(CN)c1C
InChIInChI=1S/C9H17N3/c1-4-5-12-8(3)9(6-10)7(2)11-12/h4-6,10H2,1-3H3
InChIKeyFBVYPJIXOJSHCX-UHFFFAOYSA-N
XLogP1.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine (CID 19620896) is (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine is CCCn1nc(C)c(CN)c1C.
What is the InChIKey of (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine?
The InChIKey is FBVYPJIXOJSHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-5-12-8(3)9(6-10)7(2)11-12/h4-6,10H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine?
(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 19620896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).