1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea

C19H21N5O2 — CID 112837785

IUPAC1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCC(C)Oc1ncccc1NC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H21N5O2/c1-14(2)26-18-17(5-3-10-20-18)23-19(25)21-13-15-6-8-16(9-7-15)24-12-4-11-22-24/h3-12,14H,13H2,1-2H3,(H2,21,23,25)
InChIKeyPOZJVECVGYHOBD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea

1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 112837785) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID112837785
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
SMILESCC(C)Oc1ncccc1NC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H21N5O2/c1-14(2)26-18-17(5-3-10-20-18)23-19(25)21-13-15-6-8-16(9-7-15)24-12-4-11-22-24/h3-12,14H,13H2,1-2H3,(H2,21,23,25)
InChIKeyPOZJVECVGYHOBD-UHFFFAOYSA-N
XLogP3.38
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112836013
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
1-(2-propan-2-yloxy-3-pyridinyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112835406
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 119725281
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040896
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55808706
tert-butyl N-[(2S)-1-oxo-1-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-yl]carbamate
CID 94462168
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea (CID 112837785) is 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea is CC(C)Oc1ncccc1NC(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is POZJVECVGYHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14(2)26-18-17(5-3-10-20-18)23-19(25)21-13-15-6-8-16(9-7-15)24-12-4-11-22-24/h3-12,14H,13H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea?
1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 351.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 112837785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).