N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide

C16H18ClN3O2 — CID 167982740

IUPACN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide
SMILESCc1[nH]nc(NC(=O)C2OCCC2C)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-9-6-7-22-14(9)16(21)18-15-13(10(2)19-20-15)11-4-3-5-12(17)8-11/h3-5,8-9,14H,6-7H2,1-2H3,(H2,18,19,20,21)
InChIKeyBIWWHKCLDLKYFK-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.40
Rot. Bonds3

About N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide

N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide (PubChem CID 167982740) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide
PubChem CID167982740
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide
SMILESCc1[nH]nc(NC(=O)C2OCCC2C)c1-c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-9-6-7-22-14(9)16(21)18-15-13(10(2)19-20-15)11-4-3-5-12(17)8-11/h3-5,8-9,14H,6-7H2,1-2H3,(H2,18,19,20,21)
InChIKeyBIWWHKCLDLKYFK-UHFFFAOYSA-N
XLogP3.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide
CID 115735280
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
CID 53197884
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 75426614
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyloxolane-2-carboxamide
CID 81448276
N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 53197836
2,5-difluoro-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197846
N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide
CID 71914233
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
N-[4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167792873
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
CID 82476314
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 126793790

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide?
The IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide (CID 167982740) is N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide is Cc1[nH]nc(NC(=O)C2OCCC2C)c1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide?
The InChIKey is BIWWHKCLDLKYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-9-6-7-22-14(9)16(21)18-15-13(10(2)19-20-15)11-4-3-5-12(17)8-11/h3-5,8-9,14H,6-7H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide?
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 167982740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).