1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea

C18H17F2N5O2 — CID 35651507

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(OC(F)F)cc1)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C18H17F2N5O2/c19-17(20)27-15-4-2-13(3-5-15)11-22-18(26)23-12-14-6-8-21-16(10-14)25-9-1-7-24-25/h1-10,17H,11-12H2,(H2,22,23,26)
InChIKeyPZRJESZRGZBHFF-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.87
Rot. Bonds7

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea

1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (PubChem CID 35651507) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
PubChem CID35651507
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(OC(F)F)cc1)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C18H17F2N5O2/c19-17(20)27-15-4-2-13(3-5-15)11-22-18(26)23-12-14-6-8-21-16(10-14)25-9-1-7-24-25/h1-10,17H,11-12H2,(H2,22,23,26)
InChIKeyPZRJESZRGZBHFF-UHFFFAOYSA-N
XLogP2.87
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide
CID 55746890
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111182113
1-(2,3-difluorophenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86856255
5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 46400150
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619635
1-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea
CID 168892575
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86995949
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (CID 35651507) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is O=C(NCc1ccc(OC(F)F)cc1)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is PZRJESZRGZBHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c19-17(20)27-15-4-2-13(3-5-15)11-22-18(26)23-12-14-6-8-21-16(10-14)25-9-1-7-24-25/h1-10,17H,11-12H2,(H2,22,23,26).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 373.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 35651507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).