N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide

C18H17ClN4O — CID 57298787

IUPACN-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2[nH]ncc2Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H17ClN4O/c1-2-17(24)22-14-7-3-5-12(9-14)18-16(11-20-23-18)21-15-8-4-6-13(19)10-15/h3-11,21H,2H2,1H3,(H,20,23)(H,22,24)
InChIKeyYLMUNLMIBLYOSM-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.82
Rot. Bonds5

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

N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide (PubChem CID 57298787) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide
PubChem CID57298787
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2[nH]ncc2Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H17ClN4O/c1-2-17(24)22-14-7-3-5-12(9-14)18-16(11-20-23-18)21-15-8-4-6-13(19)10-15/h3-11,21H,2H2,1H3,(H,20,23)(H,22,24)
InChIKeyYLMUNLMIBLYOSM-UHFFFAOYSA-N
XLogP4.82
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]carbamate
CID 57312044
N-[4-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide
CID 67645185
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
ethyl N-[(2S)-1-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56987114
4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide
CID 14280296
2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethylurea
CID 57098049
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 154858274
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
CID 57263599

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide?
The IUPAC name of N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide (CID 57298787) is N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2[nH]ncc2Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide?
The InChIKey is YLMUNLMIBLYOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-2-17(24)22-14-7-3-5-12(9-14)18-16(11-20-23-18)21-15-8-4-6-13(19)10-15/h3-11,21H,2H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide?
N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide has a molecular weight of 340.81 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 57298787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).