ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate

C20H25N5O4 — CID 55437084

IUPACethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C20H25N5O4/c1-2-29-20(28)16-12-22-25(15-6-4-3-5-7-15)19(16)23-17(26)13-24-10-8-14(9-11-24)18(21)27/h3-7,12,14H,2,8-11,13H2,1H3,(H2,21,27)(H,23,26)
InChIKeyZGXRBIJVRVQWOD-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.18
Rot. Bonds7

About ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 55437084) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
PubChem CID55437084
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Nameethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C20H25N5O4/c1-2-29-20(28)16-12-22-25(15-6-4-3-5-7-15)19(16)23-17(26)13-24-10-8-14(9-11-24)18(21)27/h3-7,12,14H,2,8-11,13H2,1H3,(H2,21,27)(H,23,26)
InChIKeyZGXRBIJVRVQWOD-UHFFFAOYSA-N
XLogP1.18
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5054602
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ethyl 5-[[2-(1-adamantyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
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ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 5086610
ethyl 5-[[2-[4-(benzenesulfonamido)piperidin-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56540930
ethyl 1-methyl-5-[[2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate
CID 56541036
ethyl 5-[[2-(3-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108738717
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383
ethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
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ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate
CID 19414065
ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004
ethyl 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931236

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate (CID 55437084) is ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is ZGXRBIJVRVQWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-2-29-20(28)16-12-22-25(15-6-4-3-5-7-15)19(16)23-17(26)13-24-10-8-14(9-11-24)18(21)27/h3-7,12,14H,2,8-11,13H2,1H3,(H2,21,27)(H,23,26).
What are the key properties of ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 55437084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).