1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea

C19H23F3N4O — CID 47955967

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
SMILESCn1cc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cn1
InChIInChI=1S/C19H23F3N4O/c1-26-12-14(11-25-26)10-23-17(27)24-13-18(7-2-3-8-18)15-5-4-6-16(9-15)19(20,21)22/h4-6,9,11-12H,2-3,7-8,10,13H2,1H3,(H2,23,24,27)
InChIKeyHSNZEMXXZTZZFM-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.75
Rot. Bonds5

About 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea

1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea (PubChem CID 47955967) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
PubChem CID47955967
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
SMILESCn1cc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cn1
InChIInChI=1S/C19H23F3N4O/c1-26-12-14(11-25-26)10-23-17(27)24-13-18(7-2-3-8-18)15-5-4-6-16(9-15)19(20,21)22/h4-6,9,11-12H,2-3,7-8,10,13H2,1H3,(H2,23,24,27)
InChIKeyHSNZEMXXZTZZFM-UHFFFAOYSA-N
XLogP3.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea with MolForge

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Related Compounds

1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 86876143
4-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122003816
(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 96998721
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine
CID 111687382
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea (CID 47955967) is 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea is Cn1cc(CNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea?
The InChIKey is HSNZEMXXZTZZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-26-12-14(11-25-26)10-23-17(27)24-13-18(7-2-3-8-18)15-5-4-6-16(9-15)19(20,21)22/h4-6,9,11-12H,2-3,7-8,10,13H2,1H3,(H2,23,24,27).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea?
1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea has a molecular weight of 380.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea is sourced from PubChem (CID 47955967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).