N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide

C20H19ClN4O2 — CID 51233551

IUPACN-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1ccnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O2/c21-17-8-6-15(7-9-17)14-25-18(10-13-23-25)24-19(26)11-12-22-20(27)16-4-2-1-3-5-16/h1-10,13H,11-12,14H2,(H,22,27)(H,24,26)
InChIKeyQXPWDWHBTTVBTD-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.34
Rot. Bonds7

About N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide

N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide (PubChem CID 51233551) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide
PubChem CID51233551
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1ccnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O2/c21-17-8-6-15(7-9-17)14-25-18(10-13-23-25)24-19(26)11-12-22-20(27)16-4-2-1-3-5-16/h1-10,13H,11-12,14H2,(H,22,27)(H,24,26)
InChIKeyQXPWDWHBTTVBTD-UHFFFAOYSA-N
XLogP3.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 78806761
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
CID 30181874
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-ethoxybenzamide
CID 26725871
N-[3-[[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 38996537
2-ethoxy-N-[4-[[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 34430651
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
N-[3-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630834
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 26725895
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 34077193
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide (CID 51233551) is N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)Nc1ccnn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is QXPWDWHBTTVBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-17-8-6-15(7-9-17)14-25-18(10-13-23-25)24-19(26)11-12-22-20(27)16-4-2-1-3-5-16/h1-10,13H,11-12,14H2,(H,22,27)(H,24,26).
What are the key properties of N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide?
N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 51233551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).