N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide

C19H19ClN4O — CID 55629793

IUPACN-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
SMILESCC(Nc1cccc(Cn2cccn2)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-14(19(25)23-17-8-6-16(20)7-9-17)22-18-5-2-4-15(12-18)13-24-11-3-10-21-24/h2-12,14,22H,13H2,1H3,(H,23,25)
InChIKeyPVVAEMOHWDRSGQ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.02
Rot. Bonds6

About N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide

N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide (PubChem CID 55629793) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
PubChem CID55629793
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
SMILESCC(Nc1cccc(Cn2cccn2)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-14(19(25)23-17-8-6-16(20)7-9-17)22-18-5-2-4-15(12-18)13-24-11-3-10-21-24/h2-12,14,22H,13H2,1H3,(H,23,25)
InChIKeyPVVAEMOHWDRSGQ-UHFFFAOYSA-N
XLogP4.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(pyrazol-1-ylmethyl)anilino]propanoate
CID 56805806
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629850
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
2-(4-chlorophenyl)-2-morpholin-4-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46977302
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629877
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46424038
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19564335

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide (CID 55629793) is N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide is CC(Nc1cccc(Cn2cccn2)c1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide?
The InChIKey is PVVAEMOHWDRSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-14(19(25)23-17-8-6-16(20)7-9-17)22-18-5-2-4-15(12-18)13-24-11-3-10-21-24/h2-12,14,22H,13H2,1H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide?
N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide has a molecular weight of 354.84 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide is sourced from PubChem (CID 55629793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).