1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea

C18H19N5O — CID 166349900

IUPAC1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea
SMILESCC(C)c1cccc(NC(=O)Nc2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-12(2)14-9-6-10-16(20-14)22-18(24)21-15-11-19-23-17(15)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyBQCFPLHSOIVMKR-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.24
Rot. Bonds4

About 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea

1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea (PubChem CID 166349900) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea
PubChem CID166349900
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea
SMILESCC(C)c1cccc(NC(=O)Nc2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-12(2)14-9-6-10-16(20-14)22-18(24)21-15-11-19-23-17(15)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyBQCFPLHSOIVMKR-UHFFFAOYSA-N
XLogP4.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea?
The IUPAC name of 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea (CID 166349900) is 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea.
What is the SMILES notation for 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea?
The canonical SMILES for 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea is CC(C)c1cccc(NC(=O)Nc2cn[nH]c2-c2ccccc2)n1.
What is the InChIKey of 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea?
The InChIKey is BQCFPLHSOIVMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12(2)14-9-6-10-16(20-14)22-18(24)21-15-11-19-23-17(15)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea?
1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea has a molecular weight of 321.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-pyrazol-4-yl)-3-(6-propan-2-yl-2-pyridinyl)urea is sourced from PubChem (CID 166349900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).