1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea

C17H17N5O2 — CID 75434348

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C17H17N5O2/c1-11-16(12(2)22-21-11)20-17(23)19-13-8-9-18-15(10-13)24-14-6-4-3-5-7-14/h3-10H,1-2H3,(H,21,22)(H2,18,19,20,23)
InChIKeyXOGYRWRIBIZUMC-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.86
Rot. Bonds4

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea (PubChem CID 75434348) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea
PubChem CID75434348
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C17H17N5O2/c1-11-16(12(2)22-21-11)20-17(23)19-13-8-9-18-15(10-13)24-14-6-4-3-5-7-14/h3-10H,1-2H3,(H,21,22)(H2,18,19,20,23)
InChIKeyXOGYRWRIBIZUMC-UHFFFAOYSA-N
XLogP3.86
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
CID 122159595
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341795
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 124552881
N-methyl-2-(3-phenoxyphenoxy)pyridin-4-amine
CID 175086135
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397496
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
2-phenoxypyridine-4-carboxylic acid
CID 21494431
1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 75434316
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-hydroxyphenoxy)acetamide
CID 43546519

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea (CID 75434348) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea is Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea?
The InChIKey is XOGYRWRIBIZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-16(12(2)22-21-11)20-17(23)19-13-8-9-18-15(10-13)24-14-6-4-3-5-7-14/h3-10H,1-2H3,(H,21,22)(H2,18,19,20,23).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea has a molecular weight of 323.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenoxy-4-pyridinyl)urea is sourced from PubChem (CID 75434348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).