1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea

C19H21N5O2 — CID 86986317

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea
SMILESCc1c(NC(=O)NCCc2cccnc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H21N5O2/c1-14-17(18(25)24(23(14)2)16-8-4-3-5-9-16)22-19(26)21-12-10-15-7-6-11-20-13-15/h3-9,11,13H,10,12H2,1-2H3,(H2,21,22,26)
InChIKeyNPXSWGYMJNOETP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.24
Rot. Bonds5

About 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea (PubChem CID 86986317) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea
PubChem CID86986317
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea
SMILESCc1c(NC(=O)NCCc2cccnc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H21N5O2/c1-14-17(18(25)24(23(14)2)16-8-4-3-5-9-16)22-19(26)21-12-10-15-7-6-11-20-13-15/h3-9,11,13H,10,12H2,1-2H3,(H2,21,22,26)
InChIKeyNPXSWGYMJNOETP-UHFFFAOYSA-N
XLogP2.24
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea
CID 22430467
3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 24980353
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 52590663
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 51943947
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 55694215
3-(3-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 112759165
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
2-benzylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 2899652

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea (CID 86986317) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea is Cc1c(NC(=O)NCCc2cccnc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is NPXSWGYMJNOETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-17(18(25)24(23(14)2)16-8-4-3-5-9-16)22-19(26)21-12-10-15-7-6-11-20-13-15/h3-9,11,13H,10,12H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 351.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 86986317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).