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

C16H29N3O — CID 116558310

IUPAC1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one
SMILESCCC(CC)n1ccc(CC(=O)CCCNC(C)C)n1
InChIInChI=1S/C16H29N3O/c1-5-15(6-2)19-11-9-14(18-19)12-16(20)8-7-10-17-13(3)4/h9,11,13,15,17H,5-8,10,12H2,1-4H3
InChIKeyKUQUCRJULLKSMW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.13
Rot. Bonds10

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

1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one (PubChem CID 116558310) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one
PubChem CID116558310
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one
SMILESCCC(CC)n1ccc(CC(=O)CCCNC(C)C)n1
InChIInChI=1S/C16H29N3O/c1-5-15(6-2)19-11-9-14(18-19)12-16(20)8-7-10-17-13(3)4/h9,11,13,15,17H,5-8,10,12H2,1-4H3
InChIKeyKUQUCRJULLKSMW-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-4-(propan-2-ylamino)butan-2-one
CID 116556354
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-one
CID 64783167
7-amino-5,5-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-one
CID 116574945
1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
1-(1-butan-2-ylpyrazol-3-yl)-4-(methylamino)butan-2-one
CID 116561039
1-(1-propan-2-ylpyrazol-3-yl)undecan-2-one
CID 114975653
5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
CID 106236870
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783360
1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 116659647

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one (CID 116558310) is 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one is CCC(CC)n1ccc(CC(=O)CCCNC(C)C)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one?
The InChIKey is KUQUCRJULLKSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-15(6-2)19-11-9-14(18-19)12-16(20)8-7-10-17-13(3)4/h9,11,13,15,17H,5-8,10,12H2,1-4H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one?
1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one has a molecular weight of 279.43 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 116558310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).