methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate

C19H16FN3O4 — CID 23294641

IUPACmethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(NC(=O)OCc3ccccc3)cc2F)c1
InChIInChI=1S/C19H16FN3O4/c1-26-18(24)14-10-21-23(11-14)17-8-7-15(9-16(17)20)22-19(25)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,25)
InChIKeyBKGMWZUAQIPLRV-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.55
Rot. Bonds5

About methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate

methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate (PubChem CID 23294641) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate
PubChem CID23294641
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Namemethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(NC(=O)OCc3ccccc3)cc2F)c1
InChIInChI=1S/C19H16FN3O4/c1-26-18(24)14-10-21-23(11-14)17-8-7-15(9-16(17)20)22-19(25)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,25)
InChIKeyBKGMWZUAQIPLRV-UHFFFAOYSA-N
XLogP3.55
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 831891
1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442099
Ethyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 882876
Ethyl 1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxylate
CID 16020048
1-(3-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442149
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442151
Methyl 1-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxylate
CID 135066487
Benzyl 1-phenylpyrazole-4-carboxylate
CID 25558608
methyl 3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 2898266
[1-(4-Fluorophenyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 16677759
Ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-4-carboxylate
CID 21770103
Ethyl 3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 2901180

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate (CID 23294641) is methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate is COC(=O)c1cnn(-c2ccc(NC(=O)OCc3ccccc3)cc2F)c1.
What is the InChIKey of methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate?
The InChIKey is BKGMWZUAQIPLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-26-18(24)14-10-21-23(11-14)17-8-7-15(9-16(17)20)22-19(25)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate?
methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate has a molecular weight of 369.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 23294641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).