4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

C14H16ClN3O — CID 4862990

IUPAC4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1cnn(CCCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H16ClN3O/c1-11-9-17-18(10-11)8-2-7-16-14(19)12-3-5-13(15)6-4-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,19)
InChIKeyZCKOYUUHWQVROS-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.67
Rot. Bonds5

About 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 4862990) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
PubChem CID4862990
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1cnn(CCCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H16ClN3O/c1-11-9-17-18(10-11)8-2-7-16-14(19)12-3-5-13(15)6-4-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,19)
InChIKeyZCKOYUUHWQVROS-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328023
4-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328112
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
CID 60610484
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
N-[3-(4-methylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19327965
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide
CID 135102382
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (CID 4862990) is 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is Cc1cnn(CCCNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is ZCKOYUUHWQVROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-11-9-17-18(10-11)8-2-7-16-14(19)12-3-5-13(15)6-4-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,19).
What are the key properties of 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 277.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 4862990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).