2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide

C17H20ClN3O2 — CID 77078809

IUPAC2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-2-20(12-14-5-3-10-23-14)17(22)15-11-13(6-7-16(15)18)21-9-4-8-19-21/h4,6-9,11,14H,2-3,5,10,12H2,1H3
InChIKeyXMAYTOZPTCGQIA-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide

2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide (PubChem CID 77078809) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
PubChem CID77078809
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide
SMILESCCN(CC1CCCO1)C(=O)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-2-20(12-14-5-3-10-23-14)17(22)15-11-13(6-7-16(15)18)21-9-4-8-19-21/h4,6-9,11,14H,2-3,5,10,12H2,1H3
InChIKeyXMAYTOZPTCGQIA-UHFFFAOYSA-N
XLogP3.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325519
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
1-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 75405036
5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 49490501
3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153935
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81243061
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 47829927
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
N-ethyl-4-hydrazinyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81256372
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide (CID 77078809) is 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide is CCN(CC1CCCO1)C(=O)c1cc(-n2cccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide?
The InChIKey is XMAYTOZPTCGQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-20(12-14-5-3-10-23-14)17(22)15-11-13(6-7-16(15)18)21-9-4-8-19-21/h4,6-9,11,14H,2-3,5,10,12H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide?
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide has a molecular weight of 333.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 77078809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).