methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate

C20H19N3O3 — CID 95047778

IUPACmethyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1
InChIInChI=1S/C20H19N3O3/c1-23-11-14(10-21-23)15-9-16(15)19(24)22-18-8-13-6-4-3-5-12(13)7-17(18)20(25)26-2/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyZAUYTYRMIMJGGL-HZPDHXFCSA-N
MW349.39 g/mol
LogP3.10
Rot. Bonds4

About methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate

methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate (PubChem CID 95047778) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate
PubChem CID95047778
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namemethyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1
InChIInChI=1S/C20H19N3O3/c1-23-11-14(10-21-23)15-9-16(15)19(24)22-18-8-13-6-4-3-5-12(13)7-17(18)20(25)26-2/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyZAUYTYRMIMJGGL-HZPDHXFCSA-N
XLogP3.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate with MolForge

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Related Compounds

trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049899
N-(2-cyclopentyloxyphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935709
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
trans-(1S,2S)-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 52512504
cis-(1S,2R)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95234864
methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate
CID 95786316
dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate
CID 1010270
methyl 2-methyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]benzoate
CID 120920427
cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95348568
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-phenoxy-3-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120940223
methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
CID 165134483
methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 97009904

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate?
The IUPAC name of methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate (CID 95047778) is methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate?
The canonical SMILES for methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate is COC(=O)c1cc2ccccc2cc1NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1.
What is the InChIKey of methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate?
The InChIKey is ZAUYTYRMIMJGGL-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23-11-14(10-21-23)15-9-16(15)19(24)22-18-8-13-6-4-3-5-12(13)7-17(18)20(25)26-2/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate?
methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate is sourced from PubChem (CID 95047778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).