1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea

C16H15N5O — CID 67185993

IUPAC1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
SMILESCNC(=O)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C16H15N5O/c1-17-16(22)20-13-4-2-3-12(9-13)15-14(10-19-21-15)11-5-7-18-8-6-11/h2-10H,1H3,(H,19,21)(H2,17,20,22)
InChIKeyIKVXMGJSFLQUDK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.89
Rot. Bonds3

About 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea

1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea (PubChem CID 67185993) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
PubChem CID67185993
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
SMILESCNC(=O)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C16H15N5O/c1-17-16(22)20-13-4-2-3-12(9-13)15-14(10-19-21-15)11-5-7-18-8-6-11/h2-10H,1H3,(H,19,21)(H2,17,20,22)
InChIKeyIKVXMGJSFLQUDK-UHFFFAOYSA-N
XLogP2.89
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea (CID 67185993) is 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea is CNC(=O)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is IKVXMGJSFLQUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-17-16(22)20-13-4-2-3-12(9-13)15-14(10-19-21-15)11-5-7-18-8-6-11/h2-10H,1H3,(H,19,21)(H2,17,20,22).
What are the key properties of 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 293.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 67185993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).