N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C18H21FN4O — CID 167782084

IUPACN-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESNC1CC(CNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1
InChIInChI=1S/C18H21FN4O/c19-14-5-1-2-6-16(14)23-15-7-3-4-13(15)17(22-23)18(24)21-10-11-8-12(20)9-11/h1-2,5-6,11-12H,3-4,7-10,20H2,(H,21,24)
InChIKeyKTJJGKAKECFBGJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.97
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 167782084) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID167782084
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESNC1CC(CNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1
InChIInChI=1S/C18H21FN4O/c19-14-5-1-2-6-16(14)23-15-7-3-4-13(15)17(22-23)18(24)21-10-11-8-12(20)9-11/h1-2,5-6,11-12H,3-4,7-10,20H2,(H,21,24)
InChIKeyKTJJGKAKECFBGJ-UHFFFAOYSA-N
XLogP1.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39272234
N-(2-amino-2-ethylbutyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119639834
N-cyclohexyl-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39397284
N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119600725
N-(2-ethylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39297108
1-(2-fluorophenyl)-N'-(2-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46452967
N'-(4-ethylbenzoyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 55687781
1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451658
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
methyl 2-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoate
CID 39459909
1-(2-fluorophenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119424397
1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55687426

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 167782084) is N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is NC1CC(CNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KTJJGKAKECFBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-5-1-2-6-16(14)23-15-7-3-4-13(15)17(22-23)18(24)21-10-11-8-12(20)9-11/h1-2,5-6,11-12H,3-4,7-10,20H2,(H,21,24).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167782084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).