1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea

C18H19N5O — CID 121196495

IUPAC1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1
InChIInChI=1S/C18H19N5O/c1-13-3-5-17(6-4-13)22-18(24)20-9-14-7-15(10-19-8-14)16-11-21-23(2)12-16/h3-8,10-12H,9H2,1-2H3,(H2,20,22,24)
InChIKeyGKBBUPUDXFDUDO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea

1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea (PubChem CID 121196495) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
PubChem CID121196495
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1
InChIInChI=1S/C18H19N5O/c1-13-3-5-17(6-4-13)22-18(24)20-9-14-7-15(10-19-8-14)16-11-21-23(2)12-16/h3-8,10-12H,9H2,1-2H3,(H2,20,22,24)
InChIKeyGKBBUPUDXFDUDO-UHFFFAOYSA-N
XLogP3.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196371
1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 121196479
4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196562
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196212
ethyl 4-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-4-oxobutanoate
CID 121196424
3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121196296
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[[4-(pyridin-4-ylamino)phenyl]methyl]urea
CID 155966979
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196270
4-(4-fluorophenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 121196309
N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 121196250

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea (CID 121196495) is 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea is Cc1ccc(NC(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The InChIKey is GKBBUPUDXFDUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-3-5-17(6-4-13)22-18(24)20-9-14-7-15(10-19-8-14)16-11-21-23(2)12-16/h3-8,10-12H,9H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea has a molecular weight of 321.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 121196495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).