5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide

C17H20ClN3O2 — CID 49490501

IUPAC5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-2-21(11-14-4-3-9-23-14)17(22)15-10-19-20-16(15)12-5-7-13(18)8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,19,20)
InChIKeyMGGGENSXXFGCPE-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.37
Rot. Bonds5

About 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 49490501) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID49490501
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-2-21(11-14-4-3-9-23-14)17(22)15-10-19-20-16(15)12-5-7-13(18)8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,19,20)
InChIKeyMGGGENSXXFGCPE-UHFFFAOYSA-N
XLogP3.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 97186747
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 126427974
1-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 75405036
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81243061
methyl 3-[(5-methyl-1H-pyrazole-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964050
5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126426959
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
N-ethyl-4-hydrazinyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81256372
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
CID 77078809
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 49490501) is 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide is CCN(CC1CCCO1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MGGGENSXXFGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-21(11-14-4-3-9-23-14)17(22)15-10-19-20-16(15)12-5-7-13(18)8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 49490501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).