(1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine

C25H30N4 — CID 143440830

IUPAC(1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine
SMILESC=C(/C=C(/NCc1ccc(CNC)cc1)n1ncc(C)c1C)c1ccccc1C
InChIInChI=1S/C25H30N4/c1-18-8-6-7-9-24(18)19(2)14-25(29-21(4)20(3)15-28-29)27-17-23-12-10-22(11-13-23)16-26-5/h6-15,26-27H,2,16-17H2,1,3-5H3/b25-14-
InChIKeyMEVCEHTWEVEVSK-QFEZKATASA-N
MW386.54 g/mol
LogP4.83
Rot. Bonds8

About (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine

(1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine (PubChem CID 143440830) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine
PubChem CID143440830
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name(1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine
SMILESC=C(/C=C(/NCc1ccc(CNC)cc1)n1ncc(C)c1C)c1ccccc1C
InChIInChI=1S/C25H30N4/c1-18-8-6-7-9-24(18)19(2)14-25(29-21(4)20(3)15-28-29)27-17-23-12-10-22(11-13-23)16-26-5/h6-15,26-27H,2,16-17H2,1,3-5H3/b25-14-
InChIKeyMEVCEHTWEVEVSK-QFEZKATASA-N
XLogP4.83
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]pentan-1-amine
CID 142870718
N-[4-[[(1Z)-1-(4,5-dimethylpyrazol-1-yl)-3-(2-methylphenyl)buta-1,3-dienyl]amino]butyl]cyclopentene-1-carboxamide
CID 143441741
(2E)-N,2-dimethyl-4-(2-methylphenyl)penta-2,4-dien-1-amine
CID 145429144
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
1-(1-benzylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
CID 63772569
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46598045
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone
CID 7333806

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine (CID 143440830) is (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine is C=C(/C=C(/NCc1ccc(CNC)cc1)n1ncc(C)c1C)c1ccccc1C.
What is the InChIKey of (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine?
The InChIKey is MEVCEHTWEVEVSK-QFEZKATASA-N. The full InChI is InChI=1S/C25H30N4/c1-18-8-6-7-9-24(18)19(2)14-25(29-21(4)20(3)15-28-29)27-17-23-12-10-22(11-13-23)16-26-5/h6-15,26-27H,2,16-17H2,1,3-5H3/b25-14-.
What are the key properties of (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine?
(1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine has a molecular weight of 386.54 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4,5-dimethylpyrazol-1-yl)-N-[[4-(methylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 143440830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).