N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine

C19H23N5 — CID 46993306

IUPACN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine
SMILESC=CCn1cc(CNCCc2cnn(-c3ccccc3)c2)c(C)n1
InChIInChI=1S/C19H23N5/c1-3-11-23-15-18(16(2)22-23)13-20-10-9-17-12-21-24(14-17)19-7-5-4-6-8-19/h3-8,12,14-15,20H,1,9-11,13H2,2H3
InChIKeyDDYOJJREBPYEQH-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.90
Rot. Bonds8

About N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine

N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 46993306) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID46993306
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine
SMILESC=CCn1cc(CNCCc2cnn(-c3ccccc3)c2)c(C)n1
InChIInChI=1S/C19H23N5/c1-3-11-23-15-18(16(2)22-23)13-20-10-9-17-12-21-24(14-17)19-7-5-4-6-8-19/h3-8,12,14-15,20H,1,9-11,13H2,2H3
InChIKeyDDYOJJREBPYEQH-UHFFFAOYSA-N
XLogP2.90
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
3-[2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethyl]-2H-phthalazine-1,4-dione
CID 46982598
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 46995894
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43824526
1-[1-methyl-5-[[2-(1-phenylpyrazol-4-yl)ethylamino]methyl]pyrrol-3-yl]ethanone
CID 131920207
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
1-phenyl-4-propylpyrazole
CID 12902534
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
N-[(3-chloro-2,6-difluorophenyl)methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
CID 46993041
2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine
CID 46989004
N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 114954910

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine (CID 46993306) is N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine is C=CCn1cc(CNCCc2cnn(-c3ccccc3)c2)c(C)n1.
What is the InChIKey of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is DDYOJJREBPYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-3-11-23-15-18(16(2)22-23)13-20-10-9-17-12-21-24(14-17)19-7-5-4-6-8-19/h3-8,12,14-15,20H,1,9-11,13H2,2H3.
What are the key properties of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine?
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 321.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 46993306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).