4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide

C11H20N4O2 — CID 65355744

IUPAC4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCOCC(NC(=O)c1nn(C)cc1N)C(C)C
InChIInChI=1S/C11H20N4O2/c1-7(2)9(6-17-4)13-11(16)10-8(12)5-15(3)14-10/h5,7,9H,6,12H2,1-4H3,(H,13,16)
InChIKeyQBQUYCSBXFGFSV-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.40
Rot. Bonds5

About 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide

4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 65355744) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID65355744
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCOCC(NC(=O)c1nn(C)cc1N)C(C)C
InChIInChI=1S/C11H20N4O2/c1-7(2)9(6-17-4)13-11(16)10-8(12)5-15(3)14-10/h5,7,9H,6,12H2,1-4H3,(H,13,16)
InChIKeyQBQUYCSBXFGFSV-UHFFFAOYSA-N
XLogP0.40
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355940
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
CID 65354482
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 65353943
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 104564300
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
4-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-1-methylpyrazole-3-carboxamide
CID 65353910
4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 79248411
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 65049794
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide (CID 65355744) is 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide is COCC(NC(=O)c1nn(C)cc1N)C(C)C.
What is the InChIKey of 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is QBQUYCSBXFGFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)9(6-17-4)13-11(16)10-8(12)5-15(3)14-10/h5,7,9H,6,12H2,1-4H3,(H,13,16).
What are the key properties of 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).