N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

C19H21N5O2S — CID 167930718

IUPACN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2csc(CNC(=O)c3cc4n(n3)CC(C)NC4)n2)cc1
InChIInChI=1S/C19H21N5O2S/c1-12-10-24-14(8-20-12)7-16(23-24)19(25)21-9-18-22-17(11-27-18)13-3-5-15(26-2)6-4-13/h3-7,11-12,20H,8-10H2,1-2H3,(H,21,25)
InChIKeyLTDHLHUHCZDCGB-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.44
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 167930718) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID167930718
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2csc(CNC(=O)c3cc4n(n3)CC(C)NC4)n2)cc1
InChIInChI=1S/C19H21N5O2S/c1-12-10-24-14(8-20-12)7-16(23-24)19(25)21-9-18-22-17(11-27-18)13-3-5-15(26-2)6-4-13/h3-7,11-12,20H,8-10H2,1-2H3,(H,21,25)
InChIKeyLTDHLHUHCZDCGB-UHFFFAOYSA-N
XLogP2.44
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide
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3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
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6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
CID 167880403
cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 95756886
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 46972199
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
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2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 167930718) is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(-c2csc(CNC(=O)c3cc4n(n3)CC(C)NC4)n2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is LTDHLHUHCZDCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-10-24-14(8-20-12)7-16(23-24)19(25)21-9-18-22-17(11-27-18)13-3-5-15(26-2)6-4-13/h3-7,11-12,20H,8-10H2,1-2H3,(H,21,25).
What are the key properties of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167930718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).