1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea

C17H23N5O — CID 136514705

IUPAC1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea
SMILESCc1ccn(-c2ccccc2NC(=O)NC2CCN(C)CC2)n1
InChIInChI=1S/C17H23N5O/c1-13-7-12-22(20-13)16-6-4-3-5-15(16)19-17(23)18-14-8-10-21(2)11-9-14/h3-7,12,14H,8-11H2,1-2H3,(H2,18,19,23)
InChIKeyHFNGRDKZUCUZKF-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.40
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea

1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea (PubChem CID 136514705) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea
PubChem CID136514705
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea
SMILESCc1ccn(-c2ccccc2NC(=O)NC2CCN(C)CC2)n1
InChIInChI=1S/C17H23N5O/c1-13-7-12-22(20-13)16-6-4-3-5-15(16)19-17(23)18-14-8-10-21(2)11-9-14/h3-7,12,14H,8-11H2,1-2H3,(H2,18,19,23)
InChIKeyHFNGRDKZUCUZKF-UHFFFAOYSA-N
XLogP2.40
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040924
(3S)-N-[2-(3-methylpyrazol-1-yl)phenyl]-3-sulfamoylpiperidine-1-carboxamide
CID 97257450
1-(1-methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)indol-4-yl]urea
CID 175826837
1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea
CID 47133044
4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120563814
2-[2-(3-methylpyrazol-1-yl)anilino]-1-piperidin-1-ylethanone
CID 154778909
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
N-[2-(3-methylpyrazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 75516974
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 4943688
1-(1-methylpiperidin-4-yl)-3-(6-phenylpyridazin-3-yl)urea
CID 122143487

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea (CID 136514705) is 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea is Cc1ccn(-c2ccccc2NC(=O)NC2CCN(C)CC2)n1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea?
The InChIKey is HFNGRDKZUCUZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-7-12-22(20-13)16-6-4-3-5-15(16)19-17(23)18-14-8-10-21(2)11-9-14/h3-7,12,14H,8-11H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea?
1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea has a molecular weight of 313.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[2-(3-methylpyrazol-1-yl)phenyl]urea is sourced from PubChem (CID 136514705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).