N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide

C20H28N4O2 — CID 138996163

IUPACN-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C20H28N4O2/c1-3-14-26-18-15-24(17-8-6-5-7-9-17)22-19(18)20(25)21-16-10-12-23(4-2)13-11-16/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,21,25)
InChIKeySBMBKOKPJQJQLA-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.88
Rot. Bonds7

About N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide

N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide (PubChem CID 138996163) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
PubChem CID138996163
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C20H28N4O2/c1-3-14-26-18-15-24(17-8-6-5-7-9-17)22-19(18)20(25)21-16-10-12-23(4-2)13-11-16/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,21,25)
InChIKeySBMBKOKPJQJQLA-UHFFFAOYSA-N
XLogP2.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984
1-(1-phenyl-4-propoxypyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119357004
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229795
4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119453024
ethyl 4-[2-(cyclooctylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750602
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 98393412
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 139000172
N-(1-ethylpiperidin-4-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42493881
1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 139013299
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide (CID 138996163) is N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide is CCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(CC)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide?
The InChIKey is SBMBKOKPJQJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-14-26-18-15-24(17-8-6-5-7-9-17)22-19(18)20(25)21-16-10-12-23(4-2)13-11-16/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,21,25).
What are the key properties of N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide?
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide is sourced from PubChem (CID 138996163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).