4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

C12H16N4OS — CID 62082818

IUPAC4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C12H16N4OS/c1-7-4-5-18-9(7)6-16(3)12(17)11-10(13)8(2)14-15-11/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKeyLCDNDHQNFOLKHQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 62082818) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID62082818
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C12H16N4OS/c1-7-4-5-18-9(7)6-16(3)12(17)11-10(13)8(2)14-15-11/h4-5H,6,13H2,1-3H3,(H,14,15)
InChIKeyLCDNDHQNFOLKHQ-UHFFFAOYSA-N
XLogP1.94
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55034476
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081233
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62787544
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
4-amino-N-(2-hydroxypropyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62333257
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081607
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 81053725
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 62082818) is 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1ccsc1CN(C)C(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LCDNDHQNFOLKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-4-5-18-9(7)6-16(3)12(17)11-10(13)8(2)14-15-11/h4-5H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).