1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea

C19H27N5O — CID 75474474

IUPAC1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-2-20-19(25)22-17-13-21-23-18(17)16-9-6-11-24(14-16)12-10-15-7-4-3-5-8-15/h3-5,7-8,13,16H,2,6,9-12,14H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyHPCBCZOAXPZCSB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.97
Rot. Bonds6

About 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea

1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea (PubChem CID 75474474) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
PubChem CID75474474
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-2-20-19(25)22-17-13-21-23-18(17)16-9-6-11-24(14-16)12-10-15-7-4-3-5-8-15/h3-5,7-8,13,16H,2,6,9-12,14H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyHPCBCZOAXPZCSB-UHFFFAOYSA-N
XLogP2.97
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474473
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474634
1-[5-[(3R)-1-butylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 97344690
1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 97344399
1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 154752212
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75474491
N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea (CID 75474474) is 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea is CCNC(=O)Nc1cn[nH]c1C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea?
The InChIKey is HPCBCZOAXPZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-20-19(25)22-17-13-21-23-18(17)16-9-6-11-24(14-16)12-10-15-7-4-3-5-8-15/h3-5,7-8,13,16H,2,6,9-12,14H2,1H3,(H,21,23)(H2,20,22,25).
What are the key properties of 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea?
1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea has a molecular weight of 341.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 75474474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).