1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine

C12H14N4O — CID 166956550

IUPAC1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine
SMILESC=C(Nc1ccc(OC)cc1)n1ccc(N)n1
InChIInChI=1S/C12H14N4O/c1-9(16-8-7-12(13)15-16)14-10-3-5-11(17-2)6-4-10/h3-8,14H,1H2,2H3,(H2,13,15)
InChIKeyOEGNHSPCTKMVMW-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.01
Rot. Bonds4

About 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine

1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine (PubChem CID 166956550) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine
PubChem CID166956550
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine
SMILESC=C(Nc1ccc(OC)cc1)n1ccc(N)n1
InChIInChI=1S/C12H14N4O/c1-9(16-8-7-12(13)15-16)14-10-3-5-11(17-2)6-4-10/h3-8,14H,1H2,2H3,(H2,13,15)
InChIKeyOEGNHSPCTKMVMW-UHFFFAOYSA-N
XLogP2.01
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421
2-(3-tert-butylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122142305
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
N,4-dimethoxyaniline
CID 23340556
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine?
The IUPAC name of 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine (CID 166956550) is 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine is C=C(Nc1ccc(OC)cc1)n1ccc(N)n1.
What is the InChIKey of 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine?
The InChIKey is OEGNHSPCTKMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9(16-8-7-12(13)15-16)14-10-3-5-11(17-2)6-4-10/h3-8,14H,1H2,2H3,(H2,13,15).
What are the key properties of 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine?
1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine has a molecular weight of 230.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine is sourced from PubChem (CID 166956550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).