N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine

C11H19N3 — CID 169474860

IUPACN-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
SMILESCCCn1cc(C=CCNC)c(C)n1
InChIInChI=1S/C11H19N3/c1-4-8-14-9-11(10(2)13-14)6-5-7-12-3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyKNYBHOVJBZSSKW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.83
Rot. Bonds5

About N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine

N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 169474860) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID169474860
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
SMILESCCCn1cc(C=CCNC)c(C)n1
InChIInChI=1S/C11H19N3/c1-4-8-14-9-11(10(2)13-14)6-5-7-12-3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyKNYBHOVJBZSSKW-UHFFFAOYSA-N
XLogP1.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine (CID 169474860) is N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine is CCCn1cc(C=CCNC)c(C)n1.
What is the InChIKey of N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is KNYBHOVJBZSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-8-14-9-11(10(2)13-14)6-5-7-12-3/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine?
N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 169474860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).