5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide

C17H23N5OS — CID 122144752

IUPAC5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC1CCCN(Cc2csc(NC(=O)c3cn[nH]c3C3CC3)n2)C1
InChIInChI=1S/C17H23N5OS/c1-11-3-2-6-22(8-11)9-13-10-24-17(19-13)20-16(23)14-7-18-21-15(14)12-4-5-12/h7,10-12H,2-6,8-9H2,1H3,(H,18,21)(H,19,20,23)
InChIKeyWWLFJHCWDQBCKR-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.23
Rot. Bonds5

About 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide

5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 122144752) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID122144752
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC1CCCN(Cc2csc(NC(=O)c3cn[nH]c3C3CC3)n2)C1
InChIInChI=1S/C17H23N5OS/c1-11-3-2-6-22(8-11)9-13-10-24-17(19-13)20-16(23)14-7-18-21-15(14)12-4-5-12/h7,10-12H,2-6,8-9H2,1H3,(H,18,21)(H,19,20,23)
InChIKeyWWLFJHCWDQBCKR-UHFFFAOYSA-N
XLogP3.23
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide (CID 122144752) is 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide is CC1CCCN(Cc2csc(NC(=O)c3cn[nH]c3C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is WWLFJHCWDQBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-3-2-6-22(8-11)9-13-10-24-17(19-13)20-16(23)14-7-18-21-15(14)12-4-5-12/h7,10-12H,2-6,8-9H2,1H3,(H,18,21)(H,19,20,23).
What are the key properties of 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide?
5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122144752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).