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

C18H18N4OS — CID 91887988

IUPACN-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccs1
InChIInChI=1S/C18H18N4OS/c23-18(16-7-4-10-24-16)19-14-8-9-22(12-14)17-11-15(20-21-17)13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2,(H,19,23)(H,20,21)
InChIKeyHQYDRCGVMOEMCH-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.15
Rot. Bonds4

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

N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 91887988) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID91887988
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccs1
InChIInChI=1S/C18H18N4OS/c23-18(16-7-4-10-24-16)19-14-8-9-22(12-14)17-11-15(20-21-17)13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2,(H,19,23)(H,20,21)
InChIKeyHQYDRCGVMOEMCH-UHFFFAOYSA-N
XLogP3.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 91887988) is N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccs1.
What is the InChIKey of N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is HQYDRCGVMOEMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(16-7-4-10-24-16)19-14-8-9-22(12-14)17-11-15(20-21-17)13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2,(H,19,23)(H,20,21).
What are the key properties of N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide?
N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91887988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).