1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one

C12H21N3O — CID 103023561

IUPAC1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NCCC(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-10(2)13-7-6-12(16)5-4-11-8-14-15(3)9-11/h8-10,13H,4-7H2,1-3H3
InChIKeyFUQQXUGJIHGOMK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.31
Rot. Bonds7

About 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one

1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one (PubChem CID 103023561) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
PubChem CID103023561
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NCCC(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-10(2)13-7-6-12(16)5-4-11-8-14-15(3)9-11/h8-10,13H,4-7H2,1-3H3
InChIKeyFUQQXUGJIHGOMK-UHFFFAOYSA-N
XLogP1.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 80683092
7-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103024124
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103023798
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-one
CID 103024051
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one (CID 103023561) is 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one is CC(C)NCCC(=O)CCc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one?
The InChIKey is FUQQXUGJIHGOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)13-7-6-12(16)5-4-11-8-14-15(3)9-11/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one?
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 103023561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).