5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride

C19H27ClN4O — CID 119825262

IUPAC5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(-c2ccccc2)c1C)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-3-13-22(16-9-11-20-12-10-16)19(24)18-14-21-23(15(18)2)17-7-5-4-6-8-17;/h4-8,14,16,20H,3,9-13H2,1-2H3;1H
InChIKeyKMUPHOAYFWDBJF-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.21
Rot. Bonds5

About 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride

5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119825262) has the molecular formula C19H27ClN4O and a molecular weight of 362.90 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
PubChem CID119825262
Molecular FormulaC19H27ClN4O
Molecular Weight362.90 g/mol
Exact Mass362.19
IUPAC Name5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(-c2ccccc2)c1C)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-3-13-22(16-9-11-20-12-10-16)19(24)18-14-21-23(15(18)2)17-7-5-4-6-8-17;/h4-8,14,16,20H,3,9-13H2,1-2H3;1H
InChIKeyKMUPHOAYFWDBJF-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119823592
5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119530361
5-methyl-N-propyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119532120
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
5-methyl-N-piperidin-4-yl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 119824619
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
5-phenyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119824704
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119529856

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride (CID 119825262) is 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride is CCCN(C(=O)c1cnn(-c2ccccc2)c1C)C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is KMUPHOAYFWDBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-3-13-22(16-9-11-20-12-10-16)19(24)18-14-21-23(15(18)2)17-7-5-4-6-8-17;/h4-8,14,16,20H,3,9-13H2,1-2H3;1H.
What are the key properties of 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride?
5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119825262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).