N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C15H21F3N4O — CID 56712672

IUPACN-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1[nH]cnc1CN1CCC(CNC(=O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H21F3N4O/c1-10-12(21-9-20-10)8-22-5-2-11(7-22)6-19-13(23)14(3-4-14)15(16,17)18/h9,11H,2-8H2,1H3,(H,19,23)(H,20,21)
InChIKeyGNTWXWDMDIRCFD-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.00
Rot. Bonds5

About N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 56712672) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID56712672
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1[nH]cnc1CN1CCC(CNC(=O)C2(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H21F3N4O/c1-10-12(21-9-20-10)8-22-5-2-11(7-22)6-19-13(23)14(3-4-14)15(16,17)18/h9,11H,2-8H2,1H3,(H,19,23)(H,20,21)
InChIKeyGNTWXWDMDIRCFD-UHFFFAOYSA-N
XLogP2.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-amino-N,N-diethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 56721956
N-[(1-isobutylpyrrolidin-3-yl)methyl]-4-methyl-1H-imidazole-5-carboxamide
CID 56722012
N-[(1-isobutylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1H-imidazole-5-carboxamide
CID 56870084
1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
4,4-Dimethyl-N-[(5-methyl-1H-imidazol-4-YL)methyl]pentanamide
CID 119067776
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 164633193
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 55114498
N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65677410
N-(1H-imidazol-5-ylmethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 65691222
2,2,2-trifluoro-1-[4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 91837009
2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 130671592
N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 138034207

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 56712672) is N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1[nH]cnc1CN1CCC(CNC(=O)C2(C(F)(F)F)CC2)C1.
What is the InChIKey of N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is GNTWXWDMDIRCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-10-12(21-9-20-10)8-22-5-2-11(7-22)6-19-13(23)14(3-4-14)15(16,17)18/h9,11H,2-8H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56712672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).