3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide

C15H26N4O2 — CID 71970584

IUPAC3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)Nc2cnn(C(C)C)c2)C1
InChIInChI=1S/C15H26N4O2/c1-11(2)10-21-14-5-6-18(9-14)15(20)17-13-7-16-19(8-13)12(3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKeyKKNZIZIOOZRSNU-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.74
Rot. Bonds5

About 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide

3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 71970584) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID71970584
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)Nc2cnn(C(C)C)c2)C1
InChIInChI=1S/C15H26N4O2/c1-11(2)10-21-14-5-6-18(9-14)15(20)17-13-7-16-19(8-13)12(3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKeyKKNZIZIOOZRSNU-UHFFFAOYSA-N
XLogP2.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 99598686
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 71981500
2-[4-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 62901981
N-(3-fluoro-4-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75522492
2-ethyl-6-methyl-N-(1-propan-2-ylpyrazol-4-yl)morpholine-4-carboxamide
CID 71864895
4-(2,2-difluoroethyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,4-diazepane-1-carboxamide
CID 84592535
(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 126423565
4-[[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024360
(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999623
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide
CID 95974031

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 71970584) is 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide is CC(C)COC1CCN(C(=O)Nc2cnn(C(C)C)c2)C1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is KKNZIZIOOZRSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)10-21-14-5-6-18(9-14)15(20)17-13-7-16-19(8-13)12(3)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H,17,20).
What are the key properties of 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide?
3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71970584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).