4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one

C10H17N3O — CID 116612324

IUPAC4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCC(N)C(C)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C10H17N3O/c1-7(8(2)11)10(14)4-9-5-12-13(3)6-9/h5-8H,4,11H2,1-3H3
InChIKeyFDFBUJQXHSLVKM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.51
Rot. Bonds4

About 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one

4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one (PubChem CID 116612324) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
PubChem CID116612324
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCC(N)C(C)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C10H17N3O/c1-7(8(2)11)10(14)4-9-5-12-13(3)6-9/h5-8H,4,11H2,1-3H3
InChIKeyFDFBUJQXHSLVKM-UHFFFAOYSA-N
XLogP0.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116567370
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
4-(aminomethyl)-5-methyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103023754
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
CID 103458024
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
4-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116614716

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The IUPAC name of 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one (CID 116612324) is 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one.
What is the SMILES notation for 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The canonical SMILES for 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one is CC(N)C(C)C(=O)Cc1cnn(C)c1.
What is the InChIKey of 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
The InChIKey is FDFBUJQXHSLVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(8(2)11)10(14)4-9-5-12-13(3)6-9/h5-8H,4,11H2,1-3H3.
What are the key properties of 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one?
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one is sourced from PubChem (CID 116612324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).