N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide

C21H26N4O3 — CID 163339701

IUPACN-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
SMILESCCn1ccc(C(=O)N2CCCC2COc2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C21H26N4O3/c1-2-24-13-11-19(23-24)21(27)25-12-3-4-17(25)14-28-18-9-5-15(6-10-18)20(26)22-16-7-8-16/h5-6,9-11,13,16-17H,2-4,7-8,12,14H2,1H3,(H,22,26)
InChIKeyAPIROYDBCCUMIJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.48
Rot. Bonds7

About N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide

N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide (PubChem CID 163339701) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
PubChem CID163339701
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
SMILESCCn1ccc(C(=O)N2CCCC2COc2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C21H26N4O3/c1-2-24-13-11-19(23-24)21(27)25-12-3-4-17(25)14-28-18-9-5-15(6-10-18)20(26)22-16-7-8-16/h5-6,9-11,13,16-17H,2-4,7-8,12,14H2,1H3,(H,22,26)
InChIKeyAPIROYDBCCUMIJ-UHFFFAOYSA-N
XLogP2.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
CID 50846453
N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 92900504
N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259
N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339434
N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339566
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
N-[(1R,5S)-8-(1-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91912186
4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638
N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340085

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide (CID 163339701) is N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide is CCn1ccc(C(=O)N2CCCC2COc2ccc(C(=O)NC3CC3)cc2)n1.
What is the InChIKey of N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide?
The InChIKey is APIROYDBCCUMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-24-13-11-19(23-24)21(27)25-12-3-4-17(25)14-28-18-9-5-15(6-10-18)20(26)22-16-7-8-16/h5-6,9-11,13,16-17H,2-4,7-8,12,14H2,1H3,(H,22,26).
What are the key properties of N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide?
N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide is sourced from PubChem (CID 163339701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).