5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide

C19H20N4OS — CID 99741238

IUPAC5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccccc4)[nH]n3)C2)s1
InChIInChI=1S/C19H20N4OS/c1-13-7-8-17(25-13)19(24)20-15-9-10-23(12-15)18-11-16(21-22-18)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,20,24)(H,21,22)/t15-/m0/s1
InChIKeyFZLKICGULYBIEV-HNNXBMFYSA-N
MW352.46 g/mol
LogP3.46
Rot. Bonds4

About 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide

5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 99741238) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID99741238
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccccc4)[nH]n3)C2)s1
InChIInChI=1S/C19H20N4OS/c1-13-7-8-17(25-13)19(24)20-15-9-10-23(12-15)18-11-16(21-22-18)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,20,24)(H,21,22)/t15-/m0/s1
InChIKeyFZLKICGULYBIEV-HNNXBMFYSA-N
XLogP3.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 99741238) is 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccccc4)[nH]n3)C2)s1.
What is the InChIKey of 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is FZLKICGULYBIEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-7-8-17(25-13)19(24)20-15-9-10-23(12-15)18-11-16(21-22-18)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,20,24)(H,21,22)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 99741238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).