1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea

C14H19N5O3 — CID 154787168

IUPAC1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESCN(CC(CO)CO)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H19N5O3/c1-18(8-11(9-20)10-21)14(22)17-12-3-4-13(15-7-12)19-6-2-5-16-19/h2-7,11,20-21H,8-10H2,1H3,(H,17,22)
InChIKeyXUQTYAPHCFDTMV-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.33
Rot. Bonds6

About 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea

1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 154787168) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID154787168
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESCN(CC(CO)CO)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H19N5O3/c1-18(8-11(9-20)10-21)14(22)17-12-3-4-13(15-7-12)19-6-2-5-16-19/h2-7,11,20-21H,8-10H2,1H3,(H,17,22)
InChIKeyXUQTYAPHCFDTMV-UHFFFAOYSA-N
XLogP0.33
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
CID 55559844
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229
2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
CID 103754177

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea (CID 154787168) is 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea is CN(CC(CO)CO)C(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is XUQTYAPHCFDTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-18(8-11(9-20)10-21)14(22)17-12-3-4-13(15-7-12)19-6-2-5-16-19/h2-7,11,20-21H,8-10H2,1H3,(H,17,22).
What are the key properties of 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 305.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 154787168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).