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

C19H24N4O3 — CID 121279663

IUPAC3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1
InChIInChI=1S/C19H24N4O3/c1-12(2)16-10-17(22-21-16)19(25)23-8-7-14(11-23)20-18(24)13-5-4-6-15(9-13)26-3/h4-6,9-10,12,14H,7-8,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyPZCXJIXZBWMTAN-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.19
Rot. Bonds5

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

3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279663) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279663
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1
InChIInChI=1S/C19H24N4O3/c1-12(2)16-10-17(22-21-16)19(25)23-8-7-14(11-23)20-18(24)13-5-4-6-15(9-13)26-3/h4-6,9-10,12,14H,7-8,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyPZCXJIXZBWMTAN-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

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
5-methoxy-N-[(1-{3-[(phenylcarbonyl)amino]propyl}piperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 71714698
N-({1-[3-(butanoylamino)propyl] piperidin-4-yl}methyl)-5-methoxy-1H-indazole-3-carboxamide
CID 71714699
N-[(1-{3-[(2E)-but-2-enoylamino]propyl}piperidin-4-yl)methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 71714700
5-methoxy-N-({1-[3-(propanoylamino) propyl]piperidin-4-yl}methyl)-1H-indazole-3-carboxamide
CID 71714701
N-({1-[3-(but-2-ynoylamino)propyl]piperidin-4-yl}methyl)-5-methoxy-1H-indazole-3-carboxamide
CID 71714702
3-(4-methoxyphenyl)-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127027678
3-(3,4-dimethoxyphenyl)-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127027679
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 5309050
1-(4-methoxyphenyl)-3-N-(2-methylpropyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
CID 11762691

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279663) is 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is COc1cccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1.
What is the InChIKey of 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is PZCXJIXZBWMTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)16-10-17(22-21-16)19(25)23-8-7-14(11-23)20-18(24)13-5-4-6-15(9-13)26-3/h4-6,9-10,12,14H,7-8,11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
3-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 3-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).