5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

C16H17ClN4O4 — CID 95199427

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)N[C@@H]3CCNC3=O)n[nH]2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O4/c1-24-10-2-3-14(11(17)7-10)25-8-9-6-13(21-20-9)16(23)19-12-4-5-18-15(12)22/h2-3,6-7,12H,4-5,8H2,1H3,(H,18,22)(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyHUMBBDQAILEXTH-GFCCVEGCSA-N
MW364.79 g/mol
LogP1.27
Rot. Bonds6

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 95199427) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID95199427
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)N[C@@H]3CCNC3=O)n[nH]2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O4/c1-24-10-2-3-14(11(17)7-10)25-8-9-6-13(21-20-9)16(23)19-12-4-5-18-15(12)22/h2-3,6-7,12H,4-5,8H2,1H3,(H,18,22)(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyHUMBBDQAILEXTH-GFCCVEGCSA-N
XLogP1.27
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 56872792
N-(2-acetamidoethyl)-5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56747146
N-[(2R)-butan-2-yl]-5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42197499
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-4-hydroxybutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95394193
5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95223634
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56754413
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56760280
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42196298
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone
CID 25285402
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone
CID 45239926
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3S)-2-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95202945
5-(difluoromethyl)-N-[(7S)-17-methoxy-6,13-dioxo-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]-1H-pyrazole-3-carboxamide
CID 165422034

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (CID 95199427) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)N[C@@H]3CCNC3=O)n[nH]2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HUMBBDQAILEXTH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c1-24-10-2-3-14(11(17)7-10)25-8-9-6-13(21-20-9)16(23)19-12-4-5-18-15(12)22/h2-3,6-7,12H,4-5,8H2,1H3,(H,18,22)(H,19,23)(H,20,21)/t12-/m1/s1.
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95199427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).