1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea

C18H19N5O3 — CID 167836219

IUPAC1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
SMILESCOc1cc(NC(=O)Nc2ccn(Cc3cccnc3)n2)cc(OC)c1
InChIInChI=1S/C18H19N5O3/c1-25-15-8-14(9-16(10-15)26-2)20-18(24)21-17-5-7-23(22-17)12-13-4-3-6-19-11-13/h3-11H,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyWGELAGOQQCXWEI-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.99
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea

1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea (PubChem CID 167836219) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
PubChem CID167836219
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
SMILESCOc1cc(NC(=O)Nc2ccn(Cc3cccnc3)n2)cc(OC)c1
InChIInChI=1S/C18H19N5O3/c1-25-15-8-14(9-16(10-15)26-2)20-18(24)21-17-5-7-23(22-17)12-13-4-3-6-19-11-13/h3-11H,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyWGELAGOQQCXWEI-UHFFFAOYSA-N
XLogP2.99
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 51102289
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1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 95306827
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274063
3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51101885
3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide
CID 59448699
3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide
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1-(4-methylsulfanylphenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 99836283
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
1-(4-methoxyphenyl)-3-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 83285336

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea (CID 167836219) is 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea is COc1cc(NC(=O)Nc2ccn(Cc3cccnc3)n2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is WGELAGOQQCXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-15-8-14(9-16(10-15)26-2)20-18(24)21-17-5-7-23(22-17)12-13-4-3-6-19-11-13/h3-11H,12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 353.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 167836219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).