methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate

C19H26N4O4 — CID 97004143

IUPACmethyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate
SMILESCOC[C@@](C)(CC(=O)OC)NC(=O)Nc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C19H26N4O4/c1-13-10-14(2)23(22-13)16-9-7-6-8-15(16)20-18(25)21-19(3,12-26-4)11-17(24)27-5/h6-10H,11-12H2,1-5H3,(H2,20,21,25)/t19-/m1/s1
InChIKeyPXNAVWCZBHNTQC-LJQANCHMSA-N
MW374.44 g/mol
LogP2.58
Rot. Bonds7

About methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate

methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate (PubChem CID 97004143) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate
PubChem CID97004143
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Namemethyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate
SMILESCOC[C@@](C)(CC(=O)OC)NC(=O)Nc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C19H26N4O4/c1-13-10-14(2)23(22-13)16-9-7-6-8-15(16)20-18(25)21-19(3,12-26-4)11-17(24)27-5/h6-10H,11-12H2,1-5H3,(H2,20,21,25)/t19-/m1/s1
InChIKeyPXNAVWCZBHNTQC-LJQANCHMSA-N
XLogP2.58
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
CID 86988542
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336833
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea
CID 95630447
methyl 3-methyl-3-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]pentanoate
CID 75456145
tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 47033792
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 43074030
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate?
The IUPAC name of methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate (CID 97004143) is methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate.
What is the SMILES notation for methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate?
The canonical SMILES for methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate is COC[C@@](C)(CC(=O)OC)NC(=O)Nc1ccccc1-n1nc(C)cc1C.
What is the InChIKey of methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate?
The InChIKey is PXNAVWCZBHNTQC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-13-10-14(2)23(22-13)16-9-7-6-8-15(16)20-18(25)21-19(3,12-26-4)11-17(24)27-5/h6-10H,11-12H2,1-5H3,(H2,20,21,25)/t19-/m1/s1.
What are the key properties of methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate?
methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate has a molecular weight of 374.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate is sourced from PubChem (CID 97004143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).