5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C18H21FN4O2 — CID 171144674

IUPAC5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCc1ccc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)cc1F
InChIInChI=1S/C18H21FN4O2/c1-10(2)20-18(25)16-8-14-7-13(9-23(14)22-16)21-17(24)12-5-4-11(3)15(19)6-12/h4-6,8,10,13H,7,9H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyMFRILHGRHUYXJA-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.82
Rot. Bonds4

About 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 171144674) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID171144674
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESCc1ccc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)cc1F
InChIInChI=1S/C18H21FN4O2/c1-10(2)20-18(25)16-8-14-7-13(9-23(14)22-16)21-17(24)12-5-4-11(3)15(19)6-12/h4-6,8,10,13H,7,9H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyMFRILHGRHUYXJA-UHFFFAOYSA-N
XLogP1.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 171144661
3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide
CID 118792832
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
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3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
CID 43594335
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9386869
4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
CID 154814881
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
3-fluoro-4-methyl-N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 37168940

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 171144674) is 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is Cc1ccc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is MFRILHGRHUYXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-10(2)20-18(25)16-8-14-7-13(9-23(14)22-16)21-17(24)12-5-4-11(3)15(19)6-12/h4-6,8,10,13H,7,9H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 171144674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).