N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide

C10H11N5O — CID 91212083

IUPACN-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide
SMILESNc1ccccc1-n1ncc(NC=O)c1N
InChIInChI=1S/C10H11N5O/c11-7-3-1-2-4-9(7)15-10(12)8(5-14-15)13-6-16/h1-6H,11-12H2,(H,13,16)
InChIKeyYNMFMLYVMIFQRL-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.61
Rot. Bonds3

About N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide

N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide (PubChem CID 91212083) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide
PubChem CID91212083
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide
SMILESNc1ccccc1-n1ncc(NC=O)c1N
InChIInChI=1S/C10H11N5O/c11-7-3-1-2-4-9(7)15-10(12)8(5-14-15)13-6-16/h1-6H,11-12H2,(H,13,16)
InChIKeyYNMFMLYVMIFQRL-UHFFFAOYSA-N
XLogP0.61
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide?
The IUPAC name of N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide (CID 91212083) is N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide.
What is the SMILES notation for N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide?
The canonical SMILES for N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide is Nc1ccccc1-n1ncc(NC=O)c1N.
What is the InChIKey of N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide?
The InChIKey is YNMFMLYVMIFQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-7-3-1-2-4-9(7)15-10(12)8(5-14-15)13-6-16/h1-6H,11-12H2,(H,13,16).
What are the key properties of N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide?
N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide has a molecular weight of 217.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-(2-aminophenyl)pyrazol-4-yl]formamide is sourced from PubChem (CID 91212083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).