1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea

C21H24N6O — CID 119046492

IUPAC1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCc1cc(-n2cccn2)ccc1NC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H24N6O/c1-16-15-18(27-12-4-11-23-27)6-7-19(16)25-21(28)24-17-8-13-26(14-9-17)20-5-2-3-10-22-20/h2-7,10-12,15,17H,8-9,13-14H2,1H3,(H2,24,25,28)
InChIKeyVVHKUDMKWRFQKS-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.37
Rot. Bonds4

About 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea

1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 119046492) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID119046492
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCc1cc(-n2cccn2)ccc1NC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H24N6O/c1-16-15-18(27-12-4-11-23-27)6-7-19(16)25-21(28)24-17-8-13-26(14-9-17)20-5-2-3-10-22-20/h2-7,10-12,15,17H,8-9,13-14H2,1H3,(H2,24,25,28)
InChIKeyVVHKUDMKWRFQKS-UHFFFAOYSA-N
XLogP3.37
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 124854450
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 124846248
1-(4-bromo-2-methylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989163
1-[2-(2-methylpropoxy)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87010573
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97323181
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
N-(4-fluorophenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]acetamide
CID 49255389
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75433407
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 119046492) is 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is Cc1cc(-n2cccn2)ccc1NC(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is VVHKUDMKWRFQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-16-15-18(27-12-4-11-23-27)6-7-19(16)25-21(28)24-17-8-13-26(14-9-17)20-5-2-3-10-22-20/h2-7,10-12,15,17H,8-9,13-14H2,1H3,(H2,24,25,28).
What are the key properties of 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 376.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 119046492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).