1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea

C18H18F2N4O2 — CID 143225051

IUPAC1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea
SMILESCc1[nH]ncc1-c1cccc(NC(=O)NC2=CC=C(OC(F)F)CC2)c1
InChIInChI=1S/C18H18F2N4O2/c1-11-16(10-21-24-11)12-3-2-4-14(9-12)23-18(25)22-13-5-7-15(8-6-13)26-17(19)20/h2-5,7,9-10,17H,6,8H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyNGTLFZWCZONSRR-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.31
Rot. Bonds5

About 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea

1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea (PubChem CID 143225051) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea
PubChem CID143225051
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea
SMILESCc1[nH]ncc1-c1cccc(NC(=O)NC2=CC=C(OC(F)F)CC2)c1
InChIInChI=1S/C18H18F2N4O2/c1-11-16(10-21-24-11)12-3-2-4-14(9-12)23-18(25)22-13-5-7-15(8-6-13)26-17(19)20/h2-5,7,9-10,17H,6,8H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyNGTLFZWCZONSRR-UHFFFAOYSA-N
XLogP4.31
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea (CID 143225051) is 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea is Cc1[nH]ncc1-c1cccc(NC(=O)NC2=CC=C(OC(F)F)CC2)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is NGTLFZWCZONSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-11-16(10-21-24-11)12-3-2-4-14(9-12)23-18(25)22-13-5-7-15(8-6-13)26-17(19)20/h2-5,7,9-10,17H,6,8H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea?
1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 360.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-3-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 143225051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).