N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

C19H24N4O2S2 — CID 169418282

IUPACN-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC(C(=O)NC2CCSC2)CC1)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C19H24N4O2S2/c24-18(22-14-7-9-26-11-14)12-3-5-13(6-4-12)21-19(25)15-10-20-23-17(15)16-2-1-8-27-16/h1-2,8,10,12-14H,3-7,9,11H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyUTGIIEWGGOGIIR-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.05
Rot. Bonds5

About N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 169418282) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
PubChem CID169418282
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC NameN-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC(C(=O)NC2CCSC2)CC1)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C19H24N4O2S2/c24-18(22-14-7-9-26-11-14)12-3-5-13(6-4-12)21-19(25)15-10-20-23-17(15)16-2-1-8-27-16/h1-2,8,10,12-14H,3-7,9,11H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyUTGIIEWGGOGIIR-UHFFFAOYSA-N
XLogP3.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (CID 169418282) is N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is O=C(NC1CCC(C(=O)NC2CCSC2)CC1)c1cn[nH]c1-c1cccs1.
What is the InChIKey of N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is UTGIIEWGGOGIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c24-18(22-14-7-9-26-11-14)12-3-5-13(6-4-12)21-19(25)15-10-20-23-17(15)16-2-1-8-27-16/h1-2,8,10,12-14H,3-7,9,11H2,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiolan-3-ylcarbamoyl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 169418282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).