1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea

C18H29N5O2 — CID 75473808

IUPAC1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C18H29N5O2/c1-2-19-18(25)21-15-11-20-22-16(15)14-9-6-10-23(12-14)17(24)13-7-4-3-5-8-13/h11,13-14H,2-10,12H2,1H3,(H,20,22)(H2,19,21,25)
InChIKeyDISZZBALTDYVRE-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.84
Rot. Bonds4

About 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea

1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea (PubChem CID 75473808) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
PubChem CID75473808
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C18H29N5O2/c1-2-19-18(25)21-15-11-20-22-16(15)14-9-6-10-23(12-14)17(24)13-7-4-3-5-8-13/h11,13-14H,2-10,12H2,1H3,(H,20,22)(H2,19,21,25)
InChIKeyDISZZBALTDYVRE-UHFFFAOYSA-N
XLogP2.84
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea?
The IUPAC name of 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea (CID 75473808) is 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea.
What is the SMILES notation for 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea?
The canonical SMILES for 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea is CCNC(=O)Nc1cn[nH]c1C1CCCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea?
The InChIKey is DISZZBALTDYVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-19-18(25)21-15-11-20-22-16(15)14-9-6-10-23(12-14)17(24)13-7-4-3-5-8-13/h11,13-14H,2-10,12H2,1H3,(H,20,22)(H2,19,21,25).
What are the key properties of 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea?
1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea has a molecular weight of 347.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea is sourced from PubChem (CID 75473808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).