2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide

C19H25ClN4O — CID 135102382

IUPAC2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide
SMILESCc1cnn(CCCNC(=O)c2cc(N3CCCCC3)ccc2Cl)c1
InChIInChI=1S/C19H25ClN4O/c1-15-13-22-24(14-15)11-5-8-21-19(25)17-12-16(6-7-18(17)20)23-9-3-2-4-10-23/h6-7,12-14H,2-5,8-11H2,1H3,(H,21,25)
InChIKeyHXQNOLKQDISCSQ-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.66
Rot. Bonds6

About 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide

2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide (PubChem CID 135102382) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide
PubChem CID135102382
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide
SMILESCc1cnn(CCCNC(=O)c2cc(N3CCCCC3)ccc2Cl)c1
InChIInChI=1S/C19H25ClN4O/c1-15-13-22-24(14-15)11-5-8-21-19(25)17-12-16(6-7-18(17)20)23-9-3-2-4-10-23/h6-7,12-14H,2-5,8-11H2,1H3,(H,21,25)
InChIKeyHXQNOLKQDISCSQ-UHFFFAOYSA-N
XLogP3.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
CID 119060470
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide
CID 137303331
4-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328112
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
CID 60610484
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide (CID 135102382) is 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide is Cc1cnn(CCCNC(=O)c2cc(N3CCCCC3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide?
The InChIKey is HXQNOLKQDISCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-15-13-22-24(14-15)11-5-8-21-19(25)17-12-16(6-7-18(17)20)23-9-3-2-4-10-23/h6-7,12-14H,2-5,8-11H2,1H3,(H,21,25).
What are the key properties of 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide?
2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide has a molecular weight of 360.89 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 135102382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).