N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C15H15N5O3 — CID 121091901

IUPACN-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H15N5O3/c1-20-9-11(15(19-20)23-2)14(22)17-8-13(21)18-12-6-4-3-5-10(12)7-16/h3-6,9H,8H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyIKGTXTNJLXCQTN-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.67
Rot. Bonds5

About N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121091901) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121091901
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H15N5O3/c1-20-9-11(15(19-20)23-2)14(22)17-8-13(21)18-12-6-4-3-5-10(12)7-16/h3-6,9H,8H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyIKGTXTNJLXCQTN-UHFFFAOYSA-N
XLogP0.67
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091902
3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 121091888
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091914
methyl N-[2-(2-cyanoanilino)-2-oxoethyl]carbamate
CID 113001850
3-methoxy-1-methyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrazole-4-carboxamide
CID 121091994
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091955
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091957
3-methoxy-1-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]pyrazole-4-carboxamide
CID 90550436
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091930
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 121091966

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121091901) is N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is IKGTXTNJLXCQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-20-9-11(15(19-20)23-2)14(22)17-8-13(21)18-12-6-4-3-5-10(12)7-16/h3-6,9H,8H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121091901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).