ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate

C14H19N5O3 — CID 19278164

IUPACethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)N(C)Cc2ccn(C)n2)nn1C
InChIInChI=1S/C14H19N5O3/c1-5-22-14(21)12-8-11(16-19(12)4)13(20)17(2)9-10-6-7-18(3)15-10/h6-8H,5,9H2,1-4H3
InChIKeyIALPEMAYQZYURR-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.60
Rot. Bonds5

About ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate

ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate (PubChem CID 19278164) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate
PubChem CID19278164
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Nameethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)N(C)Cc2ccn(C)n2)nn1C
InChIInChI=1S/C14H19N5O3/c1-5-22-14(21)12-8-11(16-19(12)4)13(20)17(2)9-10-6-7-18(3)15-10/h6-8H,5,9H2,1-4H3
InChIKeyIALPEMAYQZYURR-UHFFFAOYSA-N
XLogP0.60
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(4-bromo-1-ethylpyrazol-5-yl)methyl-methylcarbamoyl]-1-methylpyrazole-5-carboxylate
CID 19278166
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441267
ethyl 3-[1-adamantyl(methyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19278155
ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate
CID 14049154
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
ethyl 1-methyl-3-(octadecylcarbamoyl)pyrazole-5-carboxylate
CID 19266999
N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440913
ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 90351376
4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid
CID 19620319
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452202
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19452078
2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452287

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate (CID 19278164) is ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate is CCOC(=O)c1cc(C(=O)N(C)Cc2ccn(C)n2)nn1C.
What is the InChIKey of ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate?
The InChIKey is IALPEMAYQZYURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-5-22-14(21)12-8-11(16-19(12)4)13(20)17(2)9-10-6-7-18(3)15-10/h6-8H,5,9H2,1-4H3.
What are the key properties of ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate?
ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]carbamoyl]pyrazole-5-carboxylate is sourced from PubChem (CID 19278164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).