ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate

C10H13N5O2 — CID 107043996

IUPACethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cn(C)nn2)c1
InChIInChI=1S/C10H13N5O2/c1-3-17-10(16)8-4-11-15(5-8)7-9-6-14(2)13-12-9/h4-6H,3,7H2,1-2H3
InChIKeyFYDFCGKIZXKVRI-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.24
Rot. Bonds4

About ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate

ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate (PubChem CID 107043996) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
PubChem CID107043996
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Nameethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cn(C)nn2)c1
InChIInChI=1S/C10H13N5O2/c1-3-17-10(16)8-4-11-15(5-8)7-9-6-14(2)13-12-9/h4-6H,3,7H2,1-2H3
InChIKeyFYDFCGKIZXKVRI-UHFFFAOYSA-N
XLogP0.24
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 58081217
6-[(4-ethoxycarbonylpyrazol-1-yl)methyl]pyridine-3-carboxylic acid
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ethyl 1-(3-methylbut-3-enyl)pyrazole-4-carboxylate
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CID 81498202
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CID 170757143
ethyl 1-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]pyrazole-4-carboxylate
CID 135353252
ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate
CID 114525727
ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylate
CID 79970426
ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate
CID 79969271
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
ethyl 1-[(3-amino-2-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 107347740

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate (CID 107043996) is ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2cn(C)nn2)c1.
What is the InChIKey of ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is FYDFCGKIZXKVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-17-10(16)8-4-11-15(5-8)7-9-6-14(2)13-12-9/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate?
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 235.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 107043996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).