methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate

C14H13N3O2 — CID 86708891

IUPACmethyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
SMILESCOC(=O)c1cn(-c2cnn(C)c2)c2ccccc12
InChIInChI=1S/C14H13N3O2/c1-16-8-10(7-15-16)17-9-12(14(18)19-2)11-5-3-4-6-13(11)17/h3-9H,1-2H3
InChIKeyWTRDBLGIOVVTIC-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.15
Rot. Bonds2

About methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate

methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate (PubChem CID 86708891) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
PubChem CID86708891
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Namemethyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
SMILESCOC(=O)c1cn(-c2cnn(C)c2)c2ccccc12
InChIInChI=1S/C14H13N3O2/c1-16-8-10(7-15-16)17-9-12(14(18)19-2)11-5-3-4-6-13(11)17/h3-9H,1-2H3
InChIKeyWTRDBLGIOVVTIC-UHFFFAOYSA-N
XLogP2.15
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate
CID 178035448
methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate
CID 178035422
methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
methyl 1-quinolin-6-ylindole-3-carboxylate
CID 68969653
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
methyl 1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indole-3-carboxylate
CID 24959893
chloro 1-methylindole-3-carboxylate
CID 69132264
methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
CID 58875117
methyl 1-[chloro-(3-methylindol-1-yl)phosphanyl]indole-3-carboxylate
CID 118517496
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid
CID 152744497

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate?
The IUPAC name of methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate (CID 86708891) is methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate is COC(=O)c1cn(-c2cnn(C)c2)c2ccccc12.
What is the InChIKey of methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate?
The InChIKey is WTRDBLGIOVVTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-16-8-10(7-15-16)17-9-12(14(18)19-2)11-5-3-4-6-13(11)17/h3-9H,1-2H3.
What are the key properties of methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate?
methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate has a molecular weight of 255.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate is sourced from PubChem (CID 86708891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).