5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide

C15H15N5OS — CID 110451969

IUPAC5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2ccccc2-c2nccs2)c1N
InChIInChI=1S/C15H15N5OS/c1-20-13(16)12(9-19-20)14(21)18-8-10-4-2-3-5-11(10)15-17-6-7-22-15/h2-7,9H,8,16H2,1H3,(H,18,21)
InChIKeyQMVVNZNNMRSSIS-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.06
Rot. Bonds4

About 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide

5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 110451969) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID110451969
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2ccccc2-c2nccs2)c1N
InChIInChI=1S/C15H15N5OS/c1-20-13(16)12(9-19-20)14(21)18-8-10-4-2-3-5-11(10)15-17-6-7-22-15/h2-7,9H,8,16H2,1H3,(H,18,21)
InChIKeyQMVVNZNNMRSSIS-UHFFFAOYSA-N
XLogP2.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 115330748
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CID 110459394
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443866
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
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5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 110445702
N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 110443683
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 110451969) is 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide is Cn1ncc(C(=O)NCc2ccccc2-c2nccs2)c1N.
What is the InChIKey of 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is QMVVNZNNMRSSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-20-13(16)12(9-19-20)14(21)18-8-10-4-2-3-5-11(10)15-17-6-7-22-15/h2-7,9H,8,16H2,1H3,(H,18,21).
What are the key properties of 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide?
5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110451969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).