4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide

C11H20N4O — CID 65354482

IUPAC4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
SMILESCCCCC(C)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H20N4O/c1-4-5-6-8(2)13-11(16)10-9(12)7-15(3)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyHBAQXBYNKLKIAD-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.31
Rot. Bonds5

About 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide

4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide (PubChem CID 65354482) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
PubChem CID65354482
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
SMILESCCCCC(C)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H20N4O/c1-4-5-6-8(2)13-11(16)10-9(12)7-15(3)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyHBAQXBYNKLKIAD-UHFFFAOYSA-N
XLogP1.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 65353943
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355940
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355744
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-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-(1-cyclohexylpropyl)-1-methylpyrazole-3-carboxamide
CID 65354049
N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263653
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide (CID 65354482) is 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide is CCCCC(C)NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide?
The InChIKey is HBAQXBYNKLKIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-6-8(2)13-11(16)10-9(12)7-15(3)14-10/h7-8H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide?
4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).