1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

C20H27N5O4S — CID 55978346

IUPAC1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C20H27N5O4S/c1-2-12-30(28,29)25-11-4-8-18(25)20(27)21-14-16-6-3-7-17(13-16)23-19(26)15-24-10-5-9-22-24/h3,5-7,9-10,13,18H,2,4,8,11-12,14-15H2,1H3,(H,21,27)(H,23,26)
InChIKeyFPZDUNYHOVVAKK-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.34
Rot. Bonds9

About 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55978346) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55978346
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C20H27N5O4S/c1-2-12-30(28,29)25-11-4-8-18(25)20(27)21-14-16-6-3-7-17(13-16)23-19(26)15-24-10-5-9-22-24/h3,5-7,9-10,13,18H,2,4,8,11-12,14-15H2,1H3,(H,21,27)(H,23,26)
InChIKeyFPZDUNYHOVVAKK-UHFFFAOYSA-N
XLogP1.34
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903591
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55893300
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
CID 87037167
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55979110
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55954809
2-(4-piperidin-1-ylsulfonylphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55978727
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
CID 55880907
N-[2-(3-ethynylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55991190
N-(1,3-benzodioxol-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240294
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 55978346) is 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FPZDUNYHOVVAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-2-12-30(28,29)25-11-4-8-18(25)20(27)21-14-16-6-3-7-17(13-16)23-19(26)15-24-10-5-9-22-24/h3,5-7,9-10,13,18H,2,4,8,11-12,14-15H2,1H3,(H,21,27)(H,23,26).
What are the key properties of 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55978346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).