N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

C18H26N6O2 — CID 110117033

IUPACN-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCN(C(=O)c3cc(C(C)(C)C)[nH]n3)C2)[nH]1
InChIInChI=1S/C18H26N6O2/c1-11(25)19-8-13-9-20-16(21-13)12-5-6-24(10-12)17(26)14-7-15(23-22-14)18(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3,(H,19,25)(H,20,21)(H,22,23)
InChIKeyRPLIVDAFKRCDNV-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.70
Rot. Bonds4

About N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 110117033) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID110117033
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCN(C(=O)c3cc(C(C)(C)C)[nH]n3)C2)[nH]1
InChIInChI=1S/C18H26N6O2/c1-11(25)19-8-13-9-20-16(21-13)12-5-6-24(10-12)17(26)14-7-15(23-22-14)18(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3,(H,19,25)(H,20,21)(H,22,23)
InChIKeyRPLIVDAFKRCDNV-UHFFFAOYSA-N
XLogP1.70
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117016
N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125023356
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
[3-(aminomethyl)pyrrolidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119486615
(5-tert-butyl-1H-pyrazol-3-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124946318
(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479436
N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117032
N-[[2-[4-(5-ethyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117119
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125021716
N-[[2-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124977533
6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125005483

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 110117033) is N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc(C2CCN(C(=O)c3cc(C(C)(C)C)[nH]n3)C2)[nH]1.
What is the InChIKey of N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is RPLIVDAFKRCDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11(25)19-8-13-9-20-16(21-13)12-5-6-24(10-12)17(26)14-7-15(23-22-14)18(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3,(H,19,25)(H,20,21)(H,22,23).
What are the key properties of N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 110117033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).