1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one

C15H25N3O — CID 116589010

IUPAC1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
SMILESCC(C)(C)NCC(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)16-11-14(19)10-12-8-9-18(17-12)13-6-4-5-7-13/h8-9,13,16H,4-7,10-11H2,1-3H3
InChIKeyUHXSFLJXTHIVJV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds5

About 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one

1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one (PubChem CID 116589010) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
PubChem CID116589010
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
SMILESCC(C)(C)NCC(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)16-11-14(19)10-12-8-9-18(17-12)13-6-4-5-7-13/h8-9,13,16H,4-7,10-11H2,1-3H3
InChIKeyUHXSFLJXTHIVJV-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591641
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one (CID 116589010) is 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one is CC(C)(C)NCC(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one?
The InChIKey is UHXSFLJXTHIVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)16-11-14(19)10-12-8-9-18(17-12)13-6-4-5-7-13/h8-9,13,16H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one?
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 116589010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).