1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

C19H25FN4O2 — CID 43074830

IUPAC1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCc1c(C(C)NC(=O)NC(C)C2CCCO2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O2/c1-12(22-19(25)23-13(2)18-5-4-10-26-18)17-11-21-24(14(17)3)16-8-6-15(20)7-9-16/h6-9,11-13,18H,4-5,10H2,1-3H3,(H2,22,23,25)
InChIKeyULCRRQLLMMVSES-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.25
Rot. Bonds5

About 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 43074830) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID43074830
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCc1c(C(C)NC(=O)NC(C)C2CCCO2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O2/c1-12(22-19(25)23-13(2)18-5-4-10-26-18)17-11-21-24(14(17)3)16-8-6-15(20)7-9-16/h6-9,11-13,18H,4-5,10H2,1-3H3,(H2,22,23,25)
InChIKeyULCRRQLLMMVSES-UHFFFAOYSA-N
XLogP3.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[2-(1-phenylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
CID 53562628
1-(2-Methoxyethyl)-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]urea
CID 48559874
N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-methylmorpholine-4-carboxamide
CID 49616929
1-(2-Methoxyethyl)-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea
CID 53551380
2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]morpholine-4-carboxamide
CID 53585531
1-Methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(pyridin-4-ylmethyl)urea
CID 71984813
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxolane-2-carboxamide
CID 72118730
N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 72859948
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 24712301
1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 24712491
5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818333
1-[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2-furanylmethyl)methanamine
CID 45244149

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 43074830) is 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is Cc1c(C(C)NC(=O)NC(C)C2CCCO2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is ULCRRQLLMMVSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-12(22-19(25)23-13(2)18-5-4-10-26-18)17-11-21-24(14(17)3)16-8-6-15(20)7-9-16/h6-9,11-13,18H,4-5,10H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 360.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 43074830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).