N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide

C12H22N4O — CID 82881591

IUPACN-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide
SMILESCCC(C)(C)NC(=O)CNCc1ccn(C)n1
InChIInChI=1S/C12H22N4O/c1-5-12(2,3)14-11(17)9-13-8-10-6-7-16(4)15-10/h6-7,13H,5,8-9H2,1-4H3,(H,14,17)
InChIKeyFBBIGIQHPOGAOA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.81
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide

N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide (PubChem CID 82881591) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide
PubChem CID82881591
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide
SMILESCCC(C)(C)NC(=O)CNCc1ccn(C)n1
InChIInChI=1S/C12H22N4O/c1-5-12(2,3)14-11(17)9-13-8-10-6-7-16(4)15-10/h6-7,13H,5,8-9H2,1-4H3,(H,14,17)
InChIKeyFBBIGIQHPOGAOA-UHFFFAOYSA-N
XLogP0.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 112689875
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
CID 78921060
N-(2-methylbutan-2-yl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62847912
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872132
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 115656668
2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82874011
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115876423
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide (CID 82881591) is N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide is CCC(C)(C)NC(=O)CNCc1ccn(C)n1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide?
The InChIKey is FBBIGIQHPOGAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-12(2,3)14-11(17)9-13-8-10-6-7-16(4)15-10/h6-7,13H,5,8-9H2,1-4H3,(H,14,17).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide?
N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 82881591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).