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

C20H20FN5O2 — CID 51938666

IUPAC3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
SMILESCc1c([C@H](C)NC(=O)c2cccc(NC(N)=O)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5O2/c1-12(24-19(27)14-4-3-5-16(10-14)25-20(22)28)18-11-23-26(13(18)2)17-8-6-15(21)7-9-17/h3-12H,1-2H3,(H,24,27)(H3,22,25,28)/t12-/m0/s1
InChIKeyOJUGZAUSCYZUFE-LBPRGKRZSA-N
MW381.41 g/mol
LogP3.30
Rot. Bonds5

About 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide

3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide (PubChem CID 51938666) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
PubChem CID51938666
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
SMILESCc1c([C@H](C)NC(=O)c2cccc(NC(N)=O)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5O2/c1-12(24-19(27)14-4-3-5-16(10-14)25-20(22)28)18-11-23-26(13(18)2)17-8-6-15(21)7-9-17/h3-12H,1-2H3,(H,24,27)(H3,22,25,28)/t12-/m0/s1
InChIKeyOJUGZAUSCYZUFE-LBPRGKRZSA-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

4-(carbamoylamino)-N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide
CID 51938669
2-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-4-carboxamide
CID 55592587
4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
CID 55617179
6-chloro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 134034869
3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 26309834
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
N-[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-imidazol-2-yl)benzamide
CID 25287126
2,6-difluoro-N-[1-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55591864
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761547
ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9426662
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55578970

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide (CID 51938666) is 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide is Cc1c([C@H](C)NC(=O)c2cccc(NC(N)=O)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide?
The InChIKey is OJUGZAUSCYZUFE-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12(24-19(27)14-4-3-5-16(10-14)25-20(22)28)18-11-23-26(13(18)2)17-8-6-15(21)7-9-17/h3-12H,1-2H3,(H,24,27)(H3,22,25,28)/t12-/m0/s1.
What are the key properties of 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide?
3-(carbamoylamino)-N-[(1S)-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 3-(carbamoylamino)-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 51938666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).