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

C19H24N4O3 — CID 121279435

IUPAC4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-12(2)16-10-17(22-21-16)19(25)23-9-8-14(11-23)20-18(24)13-4-6-15(26-3)7-5-13/h4-7,10,12,14H,8-9,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyRKLRLFSURNRUDP-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.19
Rot. Bonds5

About 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279435) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279435
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-12(2)16-10-17(22-21-16)19(25)23-9-8-14(11-23)20-18(24)13-4-6-15(26-3)7-5-13/h4-7,10,12,14H,8-9,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyRKLRLFSURNRUDP-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-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-methoxybenzamide
CID 23645981
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 2031826
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
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
5-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 117762724
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279435) is 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is COc1ccc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is RKLRLFSURNRUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)16-10-17(22-21-16)19(25)23-9-8-14(11-23)20-18(24)13-4-6-15(26-3)7-5-13/h4-7,10,12,14H,8-9,11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
4-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 4-methoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).