N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

C18H25N5O2 — CID 155963268

IUPACN-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC1(C)CN(C(=O)C2(n3ccnn3)CC2)CC1NC(=O)C12CC(C1)C2
InChIInChI=1S/C18H25N5O2/c1-16(2)11-22(15(25)18(3-4-18)23-6-5-19-21-23)10-13(16)20-14(24)17-7-12(8-17)9-17/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,20,24)
InChIKeyRCUJNAIPQUDTLW-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.92
Rot. Bonds4

About N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155963268) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID155963268
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC1(C)CN(C(=O)C2(n3ccnn3)CC2)CC1NC(=O)C12CC(C1)C2
InChIInChI=1S/C18H25N5O2/c1-16(2)11-22(15(25)18(3-4-18)23-6-5-19-21-23)10-13(16)20-14(24)17-7-12(8-17)9-17/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,20,24)
InChIKeyRCUJNAIPQUDTLW-UHFFFAOYSA-N
XLogP0.92
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone
CID 166259597
[4,4-bis(hydroxymethyl)-2-methylpyrrolidin-1-yl]-[1-(triazol-1-yl)cyclopropyl]methanone
CID 154855509
1-(1-bicyclo[1.1.1]pentanyl)triazole
CID 162720211
N-[(3S,4R)-1-(3-ethyltriazole-4-carbonyl)-4-methylpyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155963261
8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid
CID 139017096
1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone
CID 155207556
N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide
CID 154856070
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-1-carboxamide
CID 146427379
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone
CID 167832175
1-fluoro-N-[1'-(3-methyltriazole-4-carbonyl)spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,3'-azetidine]-7-yl]cyclopropane-1-carboxamide
CID 167972623

Frequently Asked Questions

What is the IUPAC name of N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (CID 155963268) is N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is CC1(C)CN(C(=O)C2(n3ccnn3)CC2)CC1NC(=O)C12CC(C1)C2.
What is the InChIKey of N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is RCUJNAIPQUDTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-16(2)11-22(15(25)18(3-4-18)23-6-5-19-21-23)10-13(16)20-14(24)17-7-12(8-17)9-17/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,20,24).
What are the key properties of N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155963268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).