N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C13H19N3O2 — CID 164632286

IUPACN-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESC[C@]1(CNC(=O)c2cc3n(n2)CCC3)CCOC1
InChIInChI=1S/C13H19N3O2/c1-13(4-6-18-9-13)8-14-12(17)11-7-10-3-2-5-16(10)15-11/h7H,2-6,8-9H2,1H3,(H,14,17)/t13-/m1/s1
InChIKeyLZEPAKRTUBIZPE-CYBMUJFWSA-N
MW249.31 g/mol
LogP0.99
Rot. Bonds3

About N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 164632286) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID164632286
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESC[C@]1(CNC(=O)c2cc3n(n2)CCC3)CCOC1
InChIInChI=1S/C13H19N3O2/c1-13(4-6-18-9-13)8-14-12(17)11-7-10-3-2-5-16(10)15-11/h7H,2-6,8-9H2,1H3,(H,14,17)/t13-/m1/s1
InChIKeyLZEPAKRTUBIZPE-CYBMUJFWSA-N
XLogP0.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide with MolForge

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Related Compounds

1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 49790489
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CID 49791055
1-ethyl-N-(3-methoxypropyl)-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70710179
1-ethyl-3-isopropyl-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
CID 70735757
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 70733473
2-(3-methoxypropyl)-8-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
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N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 91646049
N-[2-(4-hydroxyoxan-4-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 138036902
N-[(3S*,4S*)-4-ethoxy-1-methyl-3-pyrrolidinyl]-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70719187
N-[(1,3-dimethyl-3-pyrrolidinyl)methyl]-N,1-dimethyl-3-propyl-1H-pyrazole-5-carboxamide
CID 70734866
N-{[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 74234574
N-methoxy-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 164632286) is N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is C[C@]1(CNC(=O)c2cc3n(n2)CCC3)CCOC1.
What is the InChIKey of N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is LZEPAKRTUBIZPE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(4-6-18-9-13)8-14-12(17)11-7-10-3-2-5-16(10)15-11/h7H,2-6,8-9H2,1H3,(H,14,17)/t13-/m1/s1.
What are the key properties of N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 164632286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).