3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide

C14H17N7O — CID 170045361

IUPAC3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide
SMILESCN/C=C\C(N)=N\c1n[nH]c(-c2ccc(N)cc2)c1C(N)=O
InChIInChI=1S/C14H17N7O/c1-18-7-6-10(16)19-14-11(13(17)22)12(20-21-14)8-2-4-9(15)5-3-8/h2-7,18H,15H2,1H3,(H2,17,22)(H3,16,19,20,21)/b7-6-
InChIKeyFTGPNCGAUTUJSY-SREVYHEPSA-N
MW299.34 g/mol
LogP0.48
Rot. Bonds5

About 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide

3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 170045361) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide
PubChem CID170045361
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide
SMILESCN/C=C\C(N)=N\c1n[nH]c(-c2ccc(N)cc2)c1C(N)=O
InChIInChI=1S/C14H17N7O/c1-18-7-6-10(16)19-14-11(13(17)22)12(20-21-14)8-2-4-9(15)5-3-8/h2-7,18H,15H2,1H3,(H2,17,22)(H3,16,19,20,21)/b7-6-
InChIKeyFTGPNCGAUTUJSY-SREVYHEPSA-N
XLogP0.48
TPSA148.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 170044357
3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide
CID 71031561
3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 126748750
3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 144618606
3-(4-iodophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 57458981
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
4-[(E)-2-(methylamino)ethenyl]aniline
CID 89079211
N-[(4-aminophenyl)methylideneamino]acetamide
CID 123694049
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
4-aminobenzamide;methanol
CID 144801245
5-amino-2-(4-aminophenyl)benzamide
CID 68787804

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide (CID 170045361) is 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide is CN/C=C\C(N)=N\c1n[nH]c(-c2ccc(N)cc2)c1C(N)=O.
What is the InChIKey of 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is FTGPNCGAUTUJSY-SREVYHEPSA-N. The full InChI is InChI=1S/C14H17N7O/c1-18-7-6-10(16)19-14-11(13(17)22)12(20-21-14)8-2-4-9(15)5-3-8/h2-7,18H,15H2,1H3,(H2,17,22)(H3,16,19,20,21)/b7-6-.
What are the key properties of 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide?
3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-5-(4-aminophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 170045361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).