methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate

C14H18ClN5O3 — CID 4776743

IUPACmethyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)OC)n1
InChIInChI=1S/C14H18ClN5O3/c1-5-19-7-11(12(18-19)14(22)23-4)17-13(21)9(3)20-8(2)10(15)6-16-20/h6-7,9H,5H2,1-4H3,(H,17,21)
InChIKeyRCEQYUZPFILGLU-UHFFFAOYSA-N
MW339.78 g/mol
LogP2.05
Rot. Bonds5

About methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate

methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate (PubChem CID 4776743) has the molecular formula C14H18ClN5O3 and a molecular weight of 339.78 g/mol. Its IUPAC name is methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
PubChem CID4776743
Molecular FormulaC14H18ClN5O3
Molecular Weight339.78 g/mol
Exact Mass339.11
IUPAC Namemethyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)OC)n1
InChIInChI=1S/C14H18ClN5O3/c1-5-19-7-11(12(18-19)14(22)23-4)17-13(21)9(3)20-8(2)10(15)6-16-20/h6-7,9H,5H2,1-4H3,(H,17,21)
InChIKeyRCEQYUZPFILGLU-UHFFFAOYSA-N
XLogP2.05
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916
Methyl 2-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-3-carboxylate
CID 19342184
Methyl 4-(4-fluorobutylamino)-1-methylpyrazole-3-carboxylate
CID 155368466
propan-2-yl 4-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776425
methyl 4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776616
Isopropyl 4-({[1-(difluoromethyl)-1H-pyrazol-5-YL]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776896
methyl 4-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776914
Methyl 4-[[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19268071
Methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
CID 19341558
Methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341567
Methyl 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-3-carboxylate
CID 19341568

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate (CID 4776743) is methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate is CCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)OC)n1.
What is the InChIKey of methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate?
The InChIKey is RCEQYUZPFILGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3/c1-5-19-7-11(12(18-19)14(22)23-4)17-13(21)9(3)20-8(2)10(15)6-16-20/h6-7,9H,5H2,1-4H3,(H,17,21).
What are the key properties of methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate?
methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate has a molecular weight of 339.78 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 4776743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).