5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide

C18H24N4O2S — CID 70739011

IUPAC5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)n[nH]2)s1
InChIInChI=1S/C18H24N4O2S/c1-12-5-6-17(25-12)13-9-14(21-20-13)18(23)19-15-10-24-11-16(15)22-7-3-2-4-8-22/h5-6,9,15-16H,2-4,7-8,10-11H2,1H3,(H,19,23)(H,20,21)/t15-,16-/m0/s1
InChIKeyBJJXTMNGUYWCDP-HOTGVXAUSA-N
MW360.48 g/mol
LogP2.43
Rot. Bonds4

About 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide

5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 70739011) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID70739011
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)n[nH]2)s1
InChIInChI=1S/C18H24N4O2S/c1-12-5-6-17(25-12)13-9-14(21-20-13)18(23)19-15-10-24-11-16(15)22-7-3-2-4-8-22/h5-6,9,15-16H,2-4,7-8,10-11H2,1H3,(H,19,23)(H,20,21)/t15-,16-/m0/s1
InChIKeyBJJXTMNGUYWCDP-HOTGVXAUSA-N
XLogP2.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide (CID 70739011) is 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)n[nH]2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is BJJXTMNGUYWCDP-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-5-6-17(25-12)13-9-14(21-20-13)18(23)19-15-10-24-11-16(15)22-7-3-2-4-8-22/h5-6,9,15-16H,2-4,7-8,10-11H2,1H3,(H,19,23)(H,20,21)/t15-,16-/m0/s1.
What are the key properties of 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide?
5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70739011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).