1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide

C18H23ClN4O — CID 119825391

IUPAC1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)C1CCNCC1
InChIInChI=1S/C18H23ClN4O/c1-2-11-22(16-7-9-20-10-8-16)18(24)14-12-21-23(13-14)17-5-3-15(19)4-6-17/h3-6,12-13,16,20H,2,7-11H2,1H3
InChIKeyLWANXHUPGSSOHU-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide (PubChem CID 119825391) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
PubChem CID119825391
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)C1CCNCC1
InChIInChI=1S/C18H23ClN4O/c1-2-11-22(16-7-9-20-10-8-16)18(24)14-12-21-23(13-14)17-5-3-15(19)4-6-17/h3-6,12-13,16,20H,2,7-11H2,1H3
InChIKeyLWANXHUPGSSOHU-UHFFFAOYSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119826298
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylpyrazole-4-carboxamide
CID 43576931
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide
CID 119824208

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide (CID 119825391) is 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide is CCCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)C1CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide?
The InChIKey is LWANXHUPGSSOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-2-11-22(16-7-9-20-10-8-16)18(24)14-12-21-23(13-14)17-5-3-15(19)4-6-17/h3-6,12-13,16,20H,2,7-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 119825391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).