ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate

C20H23N5O3 — CID 47055633

IUPACethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)NC(C)Cn3ccnc3)cc2)c1C
InChIInChI=1S/C20H23N5O3/c1-4-28-20(27)18-11-22-25(15(18)3)17-7-5-16(6-8-17)19(26)23-14(2)12-24-10-9-21-13-24/h5-11,13-14H,4,12H2,1-3H3,(H,23,26)
InChIKeyLTRPTZZMNCMNHI-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.37
Rot. Bonds7

About ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate

ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate (PubChem CID 47055633) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
PubChem CID47055633
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Nameethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)NC(C)Cn3ccnc3)cc2)c1C
InChIInChI=1S/C20H23N5O3/c1-4-28-20(27)18-11-22-25(15(18)3)17-7-5-16(6-8-17)19(26)23-14(2)12-24-10-9-21-13-24/h5-11,13-14H,4,12H2,1-3H3,(H,23,26)
InChIKeyLTRPTZZMNCMNHI-UHFFFAOYSA-N
XLogP2.37
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 55963811
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ethyl 5-methyl-1-[4-(2-pyridin-2-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46429346
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate (CID 47055633) is ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(=O)NC(C)Cn3ccnc3)cc2)c1C.
What is the InChIKey of ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate?
The InChIKey is LTRPTZZMNCMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-4-28-20(27)18-11-22-25(15(18)3)17-7-5-16(6-8-17)19(26)23-14(2)12-24-10-9-21-13-24/h5-11,13-14H,4,12H2,1-3H3,(H,23,26).
What are the key properties of ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate?
ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 47055633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).