1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea

C14H25N5O — CID 94145583

IUPAC1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
SMILESCCn1cc(NC(=O)NCCN2CCCC[C@H]2C)cn1
InChIInChI=1S/C14H25N5O/c1-3-19-11-13(10-16-19)17-14(20)15-7-9-18-8-5-4-6-12(18)2/h10-12H,3-9H2,1-2H3,(H2,15,17,20)/t12-/m1/s1
InChIKeyDPEMYROJADOYIE-GFCCVEGCSA-N
MW279.39 g/mol
LogP1.90
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea

1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea (PubChem CID 94145583) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
PubChem CID94145583
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
SMILESCCn1cc(NC(=O)NCCN2CCCC[C@H]2C)cn1
InChIInChI=1S/C14H25N5O/c1-3-19-11-13(10-16-19)17-14(20)15-7-9-18-8-5-4-6-12(18)2/h10-12H,3-9H2,1-2H3,(H2,15,17,20)/t12-/m1/s1
InChIKeyDPEMYROJADOYIE-GFCCVEGCSA-N
XLogP1.90
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47200322
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CID 71895021
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94166826
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 97256526
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578353
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea (CID 94145583) is 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea is CCn1cc(NC(=O)NCCN2CCCC[C@H]2C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea?
The InChIKey is DPEMYROJADOYIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-19-11-13(10-16-19)17-14(20)15-7-9-18-8-5-4-6-12(18)2/h10-12H,3-9H2,1-2H3,(H2,15,17,20)/t12-/m1/s1.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea?
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea has a molecular weight of 279.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea is sourced from PubChem (CID 94145583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).