N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide

C10H9ClN4O — CID 174791254

IUPACN-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide
SMILESO=CNNc1cc(-c2ccccc2Cl)[nH]n1
InChIInChI=1S/C10H9ClN4O/c11-8-4-2-1-3-7(8)9-5-10(15-13-9)14-12-6-16/h1-6H,(H,12,16)(H2,13,14,15)
InChIKeySXZPSEICVFSNSH-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.80
Rot. Bonds4

About N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide

N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide (PubChem CID 174791254) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide
PubChem CID174791254
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC NameN-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide
SMILESO=CNNc1cc(-c2ccccc2Cl)[nH]n1
InChIInChI=1S/C10H9ClN4O/c11-8-4-2-1-3-7(8)9-5-10(15-13-9)14-12-6-16/h1-6H,(H,12,16)(H2,13,14,15)
InChIKeySXZPSEICVFSNSH-UHFFFAOYSA-N
XLogP1.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide (CID 174791254) is N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide is O=CNNc1cc(-c2ccccc2Cl)[nH]n1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide?
The InChIKey is SXZPSEICVFSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-8-4-2-1-3-7(8)9-5-10(15-13-9)14-12-6-16/h1-6H,(H,12,16)(H2,13,14,15).
What are the key properties of N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide?
N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide has a molecular weight of 236.66 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]formamide is sourced from PubChem (CID 174791254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).