N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide

C16H22N4OS — CID 90013234

IUPACN-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCC(C)Cn1cc(N(C(=O)c2cccs2)C2CCNC2)cn1
InChIInChI=1S/C16H22N4OS/c1-12(2)10-19-11-14(9-18-19)20(13-5-6-17-8-13)16(21)15-4-3-7-22-15/h3-4,7,9,11-13,17H,5-6,8,10H2,1-2H3
InChIKeyRLKWEPFFMZKUIV-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.61
Rot. Bonds5

About N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide

N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 90013234) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID90013234
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCC(C)Cn1cc(N(C(=O)c2cccs2)C2CCNC2)cn1
InChIInChI=1S/C16H22N4OS/c1-12(2)10-19-11-14(9-18-19)20(13-5-6-17-8-13)16(21)15-4-3-7-22-15/h3-4,7,9,11-13,17H,5-6,8,10H2,1-2H3
InChIKeyRLKWEPFFMZKUIV-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 90013234) is N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide is CC(C)Cn1cc(N(C(=O)c2cccs2)C2CCNC2)cn1.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is RLKWEPFFMZKUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12(2)10-19-11-14(9-18-19)20(13-5-6-17-8-13)16(21)15-4-3-7-22-15/h3-4,7,9,11-13,17H,5-6,8,10H2,1-2H3.
What are the key properties of N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide?
N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazol-4-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 90013234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).