N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C12H17N5O2 — CID 122564555

IUPACN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C12H17N5O2/c1-16-3-4-17-12(16)8(5-14-17)11(18)15-9-6-13-7-10(9)19-2/h3-5,9-10,13H,6-7H2,1-2H3,(H,15,18)/t9-,10-/m0/s1
InChIKeyOKKHIAISKHJDCO-UWVGGRQHSA-N
MW263.30 g/mol
LogP-0.61
Rot. Bonds3

About N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 122564555) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID122564555
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C12H17N5O2/c1-16-3-4-17-12(16)8(5-14-17)11(18)15-9-6-13-7-10(9)19-2/h3-5,9-10,13H,6-7H2,1-2H3,(H,15,18)/t9-,10-/m0/s1
InChIKeyOKKHIAISKHJDCO-UWVGGRQHSA-N
XLogP-0.61
TPSA72.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{cis-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 91761700
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 122564852
1-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 124213341
N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 125174189
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 125525367
[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
CID 137884587
1-methyl-7-{[4-(trifluoromethoxy)-1-piperidinyl]carbonyl}-1H-imidazo[1,2-b]pyrazole
CID 162629901
N-[2-(isopropylthio)ethyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50954966
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50957554
7-[(1R*,5S*)-3,8-diazabicyclo[3.2.1]oct-3-ylcarbonyl]-1-methyl-1H-imidazo[1,2-b]pyrazole
CID 50958617
1-methyl-7-[(3-propylmorpholin-4-yl)carbonyl]-1H-imidazo[1,2-b]pyrazole
CID 50958906
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 50962426

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 122564555) is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is CO[C@H]1CNC[C@@H]1NC(=O)c1cnn2ccn(C)c12.
What is the InChIKey of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is OKKHIAISKHJDCO-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-16-3-4-17-12(16)8(5-14-17)11(18)15-9-6-13-7-10(9)19-2/h3-5,9-10,13H,6-7H2,1-2H3,(H,15,18)/t9-,10-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 122564555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).