N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide

C18H22ClN3O4 — CID 157010923

IUPACN-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCOCc1[nH]nc(NC(=O)COCC2CCCO2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O4/c1-24-10-15-17(12-4-6-13(19)7-5-12)18(22-21-15)20-16(23)11-25-9-14-3-2-8-26-14/h4-7,14H,2-3,8-11H2,1H3,(H2,20,21,22,23)
InChIKeyDJRYFFRQICJRFE-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.01
Rot. Bonds8

About N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide

N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 157010923) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID157010923
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC NameN-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCOCc1[nH]nc(NC(=O)COCC2CCCO2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O4/c1-24-10-15-17(12-4-6-13(19)7-5-12)18(22-21-15)20-16(23)11-25-9-14-3-2-8-26-14/h4-7,14H,2-3,8-11H2,1H3,(H2,20,21,22,23)
InChIKeyDJRYFFRQICJRFE-UHFFFAOYSA-N
XLogP3.01
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 97185478
N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126832557
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95616406
N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789769
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
2-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]acetamide
CID 129489600
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
methyl 2-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
CID 126841568

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide (CID 157010923) is N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide is COCc1[nH]nc(NC(=O)COCC2CCCO2)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is DJRYFFRQICJRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-24-10-15-17(12-4-6-13(19)7-5-12)18(22-21-15)20-16(23)11-25-9-14-3-2-8-26-14/h4-7,14H,2-3,8-11H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 379.84 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 157010923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).