3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide

C10H18N4O — CID 64678263

IUPAC3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCn1nccc1CNC(=O)CC(C)(C)N
InChIInChI=1S/C10H18N4O/c1-10(2,11)6-9(15)12-7-8-4-5-13-14(8)3/h4-5H,6-7,11H2,1-3H3,(H,12,15)
InChIKeyBAANAKMCXGUJPV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.16
Rot. Bonds4

About 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide

3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 64678263) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
PubChem CID64678263
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCn1nccc1CNC(=O)CC(C)(C)N
InChIInChI=1S/C10H18N4O/c1-10(2,11)6-9(15)12-7-8-4-5-13-14(8)3/h4-5H,6-7,11H2,1-3H3,(H,12,15)
InChIKeyBAANAKMCXGUJPV-UHFFFAOYSA-N
XLogP0.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958443
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
2-(1-hydroxycyclopentyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 111464411

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide (CID 64678263) is 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide is Cn1nccc1CNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is BAANAKMCXGUJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,11)6-9(15)12-7-8-4-5-13-14(8)3/h4-5H,6-7,11H2,1-3H3,(H,12,15).
What are the key properties of 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 64678263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).