1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea

C18H25N5O — CID 56827020

IUPAC1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
SMILESCCN1CCC(NC(=O)Nc2cccc(-n3nccc3C)c2)CC1
InChIInChI=1S/C18H25N5O/c1-3-22-11-8-15(9-12-22)20-18(24)21-16-5-4-6-17(13-16)23-14(2)7-10-19-23/h4-7,10,13,15H,3,8-9,11-12H2,1-2H3,(H2,20,21,24)
InChIKeyMPVAYLFEVJZDCL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.79
Rot. Bonds4

About 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea

1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea (PubChem CID 56827020) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
PubChem CID56827020
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
SMILESCCN1CCC(NC(=O)Nc2cccc(-n3nccc3C)c2)CC1
InChIInChI=1S/C18H25N5O/c1-3-22-11-8-15(9-12-22)20-18(24)21-16-5-4-6-17(13-16)23-14(2)7-10-19-23/h4-7,10,13,15H,3,8-9,11-12H2,1-2H3,(H2,20,21,24)
InChIKeyMPVAYLFEVJZDCL-UHFFFAOYSA-N
XLogP2.79
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 56554558
1-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118772205
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
CID 97328121
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56554718
2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
CID 97455360
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56554495
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118784099
2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[3-(5-methylpyrazol-1-yl)phenyl]acetamide
CID 97210905
4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 51101782
2-(diethylamino)-N-[3-(5-methylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56538997
1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
CID 47456871

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea (CID 56827020) is 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea is CCN1CCC(NC(=O)Nc2cccc(-n3nccc3C)c2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea?
The InChIKey is MPVAYLFEVJZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22-11-8-15(9-12-22)20-18(24)21-16-5-4-6-17(13-16)23-14(2)7-10-19-23/h4-7,10,13,15H,3,8-9,11-12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea?
1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea has a molecular weight of 327.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-[3-(5-methylpyrazol-1-yl)phenyl]urea is sourced from PubChem (CID 56827020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).