4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide

C20H20FN5O2 — CID 51938669

IUPAC4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
SMILESCc1c([C@@H](C)NC(=O)c2ccc(NC(N)=O)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5O2/c1-12(24-19(27)14-3-7-16(8-4-14)25-20(22)28)18-11-23-26(13(18)2)17-9-5-15(21)6-10-17/h3-12H,1-2H3,(H,24,27)(H3,22,25,28)/t12-/m1/s1
InChIKeyBPVTXCZRSUJNJF-GFCCVEGCSA-N
MW381.41 g/mol
LogP3.30
Rot. Bonds5

About 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide

4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide (PubChem CID 51938669) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
PubChem CID51938669
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
SMILESCc1c([C@@H](C)NC(=O)c2ccc(NC(N)=O)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5O2/c1-12(24-19(27)14-3-7-16(8-4-14)25-20(22)28)18-11-23-26(13(18)2)17-9-5-15(21)6-10-17/h3-12H,1-2H3,(H,24,27)(H3,22,25,28)/t12-/m1/s1
InChIKeyBPVTXCZRSUJNJF-GFCCVEGCSA-N
XLogP3.30
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938666
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
6-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 134034869
4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
CID 55617179
2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
CID 55592587
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55578525
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide
CID 75430565
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 47024710
ethyl 5-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55578666

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide (CID 51938669) is 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide is Cc1c([C@@H](C)NC(=O)c2ccc(NC(N)=O)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide?
The InChIKey is BPVTXCZRSUJNJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12(24-19(27)14-3-7-16(8-4-14)25-20(22)28)18-11-23-26(13(18)2)17-9-5-15(21)6-10-17/h3-12H,1-2H3,(H,24,27)(H3,22,25,28)/t12-/m1/s1.
What are the key properties of 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide?
4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide has a molecular weight of 381.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 51938669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).