1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine

C19H18N6O2 — CID 143035580

IUPAC1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine
SMILESCN.N#Cc1ccc(-c2ccc(-n3cc(NC=O)c(C(N)=O)n3)cc2)cc1
InChIInChI=1S/C18H13N5O2.CH5N/c19-9-12-1-3-13(4-2-12)14-5-7-15(8-6-14)23-10-16(21-11-24)17(22-23)18(20)25;1-2/h1-8,10-11H,(H2,20,25)(H,21,24);2H2,1H3
InChIKeyCNUTVPFLNZWMIQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.65
Rot. Bonds5

About 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine

1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine (PubChem CID 143035580) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine.

Molecular Properties

Compound Name1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine
PubChem CID143035580
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine
SMILESCN.N#Cc1ccc(-c2ccc(-n3cc(NC=O)c(C(N)=O)n3)cc2)cc1
InChIInChI=1S/C18H13N5O2.CH5N/c19-9-12-1-3-13(4-2-12)14-5-7-15(8-6-14)23-10-16(21-11-24)17(22-23)18(20)25;1-2/h1-8,10-11H,(H2,20,25)(H,21,24);2H2,1H3
InChIKeyCNUTVPFLNZWMIQ-UHFFFAOYSA-N
XLogP1.65
TPSA139.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine?
The IUPAC name of 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine (CID 143035580) is 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine.
What is the SMILES notation for 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine?
The canonical SMILES for 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine is CN.N#Cc1ccc(-c2ccc(-n3cc(NC=O)c(C(N)=O)n3)cc2)cc1.
What is the InChIKey of 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine?
The InChIKey is CNUTVPFLNZWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2.CH5N/c19-9-12-1-3-13(4-2-12)14-5-7-15(8-6-14)23-10-16(21-11-24)17(22-23)18(20)25;1-2/h1-8,10-11H,(H2,20,25)(H,21,24);2H2,1H3.
What are the key properties of 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine?
1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine has a molecular weight of 362.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine is sourced from PubChem (CID 143035580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).