2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

C19H24N4O3 — CID 121279665

IUPAC2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C19H24N4O3/c1-12(2)15-10-16(22-21-15)19(25)23-9-8-13(11-23)20-18(24)14-6-4-5-7-17(14)26-3/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyVLSBSEYYXZARPX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.19
Rot. Bonds5

About 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279665) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279665
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C19H24N4O3/c1-12(2)15-10-16(22-21-15)19(25)23-9-8-13(11-23)20-18(24)14-6-4-5-7-17(14)26-3/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyVLSBSEYYXZARPX-UHFFFAOYSA-N
XLogP2.19
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole diamide, 31
CID 11210632
5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 2031826
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
3-(4-methoxyphenyl)-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127027678
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
5-(2-hydroxyphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 666046
4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 5309036
4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 5309050
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16187743
3-{1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}-N-(3-methoxybenzyl)propanamide
CID 16190988
5-Ethyl-N-(1-{[1-(4-methoxyphenyl)cyclohexyl]methyl}piperidin-4-YL)-4-methyl-2H-pyrazole-3-carboxamide
CID 44522216
N-(cyclohexylmethyl)-3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 49778626

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279665) is 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is COc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.
What is the InChIKey of 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is VLSBSEYYXZARPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)15-10-16(22-21-15)19(25)23-9-8-13(11-23)20-18(24)14-6-4-5-7-17(14)26-3/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).