4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

C21H22N4O2 — CID 91914563

IUPAC4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-9-7-16(8-10-18)21(26)22-17-11-12-25(14-17)20-13-19(23-24-20)15-5-3-2-4-6-15/h2-10,13,17H,11-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyHGXQSBWWXPSTIN-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds5

About 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (PubChem CID 91914563) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
PubChem CID91914563
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-9-7-16(8-10-18)21(26)22-17-11-12-25(14-17)20-13-19(23-24-20)15-5-3-2-4-6-15/h2-10,13,17H,11-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyHGXQSBWWXPSTIN-UHFFFAOYSA-N
XLogP3.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
4-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888184
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741494
3,4-difluoro-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741777
3-bromo-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741798
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide
CID 99741786
3-(dimethylamino)-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741492
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 91888188
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 99741208
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528170

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (CID 91914563) is 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is HGXQSBWWXPSTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-18-9-7-16(8-10-18)21(26)22-17-11-12-25(14-17)20-13-19(23-24-20)15-5-3-2-4-6-15/h2-10,13,17H,11-12,14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.09, 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-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91914563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).