N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide

C17H16ClN5O — CID 57071330

IUPACN-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide
SMILESO=CNc1ccc(CNc2[nH]ncc2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClN5O/c18-13-2-1-3-15(8-13)22-16-10-21-23-17(16)19-9-12-4-6-14(7-5-12)20-11-24/h1-8,10-11,22H,9H2,(H,20,24)(H2,19,21,23)
InChIKeyOKOFBZHIYYAUOM-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.99
Rot. Bonds7

About N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide

N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide (PubChem CID 57071330) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide
PubChem CID57071330
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide
SMILESO=CNc1ccc(CNc2[nH]ncc2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClN5O/c18-13-2-1-3-15(8-13)22-16-10-21-23-17(16)19-9-12-4-6-14(7-5-12)20-11-24/h1-8,10-11,22H,9H2,(H,20,24)(H2,19,21,23)
InChIKeyOKOFBZHIYYAUOM-UHFFFAOYSA-N
XLogP3.99
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol
CID 57166762
2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethylurea
CID 57098049
4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine
CID 57295767
N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
CID 57263599
4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
N-[[4-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]formamide
CID 19610587
N-[[4-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]methanesulfonamide
CID 19610552
benzyl N-[4-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]carbamate
CID 57312044
4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859776
3-chloro-N-[(4-iodophenyl)methyl]aniline
CID 65477156
N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide
CID 57298787

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide?
The IUPAC name of N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide (CID 57071330) is N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide.
What is the SMILES notation for N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide?
The canonical SMILES for N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide is O=CNc1ccc(CNc2[nH]ncc2Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide?
The InChIKey is OKOFBZHIYYAUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-13-2-1-3-15(8-13)22-16-10-21-23-17(16)19-9-12-4-6-14(7-5-12)20-11-24/h1-8,10-11,22H,9H2,(H,20,24)(H2,19,21,23).
What are the key properties of N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide?
N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide has a molecular weight of 341.80 g/mol, XLogP of 3.99, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide is sourced from PubChem (CID 57071330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).