methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate

C16H20N4O4 — CID 118770914

IUPACmethyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate
SMILESCOCc1cc(CNC(=O)Nc2cc(C(=O)OC)ccc2C)[nH]n1
InChIInChI=1S/C16H20N4O4/c1-10-4-5-11(15(21)24-3)6-14(10)18-16(22)17-8-12-7-13(9-23-2)20-19-12/h4-7H,8-9H2,1-3H3,(H,19,20)(H2,17,18,22)
InChIKeyZHLVYZCMAOKWQP-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.97
Rot. Bonds6

About methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate

methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate (PubChem CID 118770914) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate
PubChem CID118770914
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Namemethyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate
SMILESCOCc1cc(CNC(=O)Nc2cc(C(=O)OC)ccc2C)[nH]n1
InChIInChI=1S/C16H20N4O4/c1-10-4-5-11(15(21)24-3)6-14(10)18-16(22)17-8-12-7-13(9-23-2)20-19-12/h4-7H,8-9H2,1-3H3,(H,19,20)(H2,17,18,22)
InChIKeyZHLVYZCMAOKWQP-UHFFFAOYSA-N
XLogP1.97
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate with MolForge

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Related Compounds

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
CID 91772290
4-methyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)benzoic acid
CID 63825750
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
CID 60934285
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
methyl 3-[3-(4-fluorophenyl)sulfanylpropylcarbamoylamino]-4-methylbenzoate
CID 52593675
3,5-bis(methoxymethyl)-1H-pyrazole
CID 68529485
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide
CID 56755942
methyl 3-[[(2S)-2-chloropropanoyl]amino]-4-methylbenzoate
CID 93262404
methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate
CID 17439157
methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102610803

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate (CID 118770914) is methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate is COCc1cc(CNC(=O)Nc2cc(C(=O)OC)ccc2C)[nH]n1.
What is the InChIKey of methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate?
The InChIKey is ZHLVYZCMAOKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10-4-5-11(15(21)24-3)6-14(10)18-16(22)17-8-12-7-13(9-23-2)20-19-12/h4-7H,8-9H2,1-3H3,(H,19,20)(H2,17,18,22).
What are the key properties of methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate?
methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate has a molecular weight of 332.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoylamino]-4-methylbenzoate is sourced from PubChem (CID 118770914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).