1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea

C14H15F3N4O2 — CID 94030672

IUPAC1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccn[nH]1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O2/c1-9(20-13(22)18-8-11-6-7-19-21-11)10-2-4-12(5-3-10)23-14(15,16)17/h2-7,9H,8H2,1H3,(H,19,21)(H2,18,20,22)/t9-/m1/s1
InChIKeyJZIYZXFLNWVSPM-SECBINFHSA-N
MW328.29 g/mol
LogP2.87
Rot. Bonds5

About 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea

1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea (PubChem CID 94030672) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea
PubChem CID94030672
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccn[nH]1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O2/c1-9(20-13(22)18-8-11-6-7-19-21-11)10-2-4-12(5-3-10)23-14(15,16)17/h2-7,9H,8H2,1H3,(H,19,21)(H2,18,20,22)/t9-/m1/s1
InChIKeyJZIYZXFLNWVSPM-SECBINFHSA-N
XLogP2.87
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea with MolForge

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Related Compounds

1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95152555
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084955
4-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]butanoic acid
CID 122011640
1-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94120512
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CID 95241388
N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 61284669
1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94177078
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
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CID 166408095
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
(3S,4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46215623
1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 110895797

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea (CID 94030672) is 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea is C[C@@H](NC(=O)NCc1ccn[nH]1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea?
The InChIKey is JZIYZXFLNWVSPM-SECBINFHSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-9(20-13(22)18-8-11-6-7-19-21-11)10-2-4-12(5-3-10)23-14(15,16)17/h2-7,9H,8H2,1H3,(H,19,21)(H2,18,20,22)/t9-/m1/s1.
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea?
1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea has a molecular weight of 328.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 94030672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).