methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate

C17H17N5O4 — CID 19341664

IUPACmethyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1
InChIInChI=1S/C17H17N5O4/c1-22-9-14(15(21-22)17(24)26-3)18-16(23)13-8-12(19-20-13)10-5-4-6-11(7-10)25-2/h4-9H,1-3H3,(H,18,23)(H,19,20)
InChIKeyQAGRTJKYTSUCAQ-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.86
Rot. Bonds5

About methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate

methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate (PubChem CID 19341664) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
PubChem CID19341664
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Namemethyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1
InChIInChI=1S/C17H17N5O4/c1-22-9-14(15(21-22)17(24)26-3)18-16(23)13-8-12(19-20-13)10-5-4-6-11(7-10)25-2/h4-9H,1-3H3,(H,18,23)(H,19,20)
InChIKeyQAGRTJKYTSUCAQ-UHFFFAOYSA-N
XLogP1.86
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxamide
CID 19509839
methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341646
methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71710125
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509906
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
3-(3-methoxyphenyl)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 122282874
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509760
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19411696
4-iodo-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 4617866
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate (CID 19341664) is methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1.
What is the InChIKey of methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate?
The InChIKey is QAGRTJKYTSUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-22-9-14(15(21-22)17(24)26-3)18-16(23)13-8-12(19-20-13)10-5-4-6-11(7-10)25-2/h4-9H,1-3H3,(H,18,23)(H,19,20).
What are the key properties of methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate?
methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 19341664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).