N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine

C19H25N3 — CID 134567678

IUPACN,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine
SMILESC/C=C\C(=C/CCC)c1nn(-c2ccccc2)c(NC)c1C
InChIInChI=1S/C19H25N3/c1-5-7-12-16(11-6-2)18-15(3)19(20-4)22(21-18)17-13-9-8-10-14-17/h6,8-14,20H,5,7H2,1-4H3/b11-6-,16-12+
InChIKeyPQUXZDQGSNQJKG-BNBDIBMHSA-N
MW295.43 g/mol
LogP4.98
Rot. Bonds6

About N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine

N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine (PubChem CID 134567678) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine
PubChem CID134567678
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine
SMILESC/C=C\C(=C/CCC)c1nn(-c2ccccc2)c(NC)c1C
InChIInChI=1S/C19H25N3/c1-5-7-12-16(11-6-2)18-15(3)19(20-4)22(21-18)17-13-9-8-10-14-17/h6,8-14,20H,5,7H2,1-4H3/b11-6-,16-12+
InChIKeyPQUXZDQGSNQJKG-BNBDIBMHSA-N
XLogP4.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-methyl-4-methylidene-5-[(E)-2-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]hex-2-enylidene]-1,3-oxazolidin-2-one
CID 167207531
3-[(E)-3-(2,2-difluoroethylimino)-1-(methylideneamino)prop-1-en-2-yl]-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 145228988
(2E,4E)-5-formamido-N,2-dimethyl-4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]penta-2,4-dienamide
CID 145228722
4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxybutanal
CID 145228971
4,5-dimethyl-3-penta-1,3-dien-3-yl-1-phenylpyrazole
CID 123402628
3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 142337220
butane;formamide;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxy-1-(4-methylpiperazin-1-yl)butan-1-one
CID 145229102
methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol
CID 144628837
[3-[(3Z,5E,7Z)-7-(1-cyclobutylethylidene)-8-oxoundeca-3,5-dien-5-yl]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 134567506
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473
formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol
CID 145228703
phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate
CID 174766296

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine?
The IUPAC name of N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine (CID 134567678) is N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine.
What is the SMILES notation for N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine?
The canonical SMILES for N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine is C/C=C\C(=C/CCC)c1nn(-c2ccccc2)c(NC)c1C.
What is the InChIKey of N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine?
The InChIKey is PQUXZDQGSNQJKG-BNBDIBMHSA-N. The full InChI is InChI=1S/C19H25N3/c1-5-7-12-16(11-6-2)18-15(3)19(20-4)22(21-18)17-13-9-8-10-14-17/h6,8-14,20H,5,7H2,1-4H3/b11-6-,16-12+.
What are the key properties of N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine?
N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine has a molecular weight of 295.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine is sourced from PubChem (CID 134567678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).