ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate

C18H29N5O3 — CID 25057252

IUPACethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)CN2CCN(C3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C18H29N5O3/c1-2-26-18(25)15-12-16(21-20-15)19-17(24)13-22-8-10-23(11-9-22)14-6-4-3-5-7-14/h12,14H,2-11,13H2,1H3,(H2,19,20,21,24)
InChIKeyJHLPKBXJSKLEEP-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.48
Rot. Bonds6

About ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate

ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate (PubChem CID 25057252) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate
PubChem CID25057252
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nameethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)CN2CCN(C3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C18H29N5O3/c1-2-26-18(25)15-12-16(21-20-15)19-17(24)13-22-8-10-23(11-9-22)14-6-4-3-5-7-14/h12,14H,2-11,13H2,1H3,(H2,19,20,21,24)
InChIKeyJHLPKBXJSKLEEP-UHFFFAOYSA-N
XLogP1.48
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate (CID 25057252) is ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(NC(=O)CN2CCN(C3CCCCC3)CC2)n[nH]1.
What is the InChIKey of ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate?
The InChIKey is JHLPKBXJSKLEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-2-26-18(25)15-12-16(21-20-15)19-17(24)13-22-8-10-23(11-9-22)14-6-4-3-5-7-14/h12,14H,2-11,13H2,1H3,(H2,19,20,21,24).
What are the key properties of ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate?
ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 25057252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).