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

C11H19N3 — CID 114615846

IUPAC2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1ccnn1CCC
InChIInChI=1S/C11H19N3/c1-4-7-14-11(5-6-13-14)9-12-8-10(2)3/h5-6,12H,2,4,7-9H2,1,3H3
InChIKeyPRKFWUKVWLAZOG-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.96
Rot. Bonds6

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

2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 114615846) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
PubChem CID114615846
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1ccnn1CCC
InChIInChI=1S/C11H19N3/c1-4-7-14-11(5-6-13-14)9-12-8-10(2)3/h5-6,12H,2,4,7-9H2,1,3H3
InChIKeyPRKFWUKVWLAZOG-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
1-(1-methylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625389
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990
2-cyclopropyl-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556145
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
1-(6-methoxy-3-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114554886
1-(2-methoxy-4-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114555758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine (CID 114615846) is 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine is C=C(C)CNCc1ccnn1CCC.
What is the InChIKey of 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is PRKFWUKVWLAZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-7-14-11(5-6-13-14)9-12-8-10(2)3/h5-6,12H,2,4,7-9H2,1,3H3.
What are the key properties of 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine?
2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 114615846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).