1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one

C13H21N3O — CID 103023798

IUPAC1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
SMILESCn1cc(CCC(=O)CC2(N)CCCC2)cn1
InChIInChI=1S/C13H21N3O/c1-16-10-11(9-15-16)4-5-12(17)8-13(14)6-2-3-7-13/h9-10H,2-8,14H2,1H3
InChIKeyGEOOTXZJAASDDV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.58
Rot. Bonds5

About 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one

1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one (PubChem CID 103023798) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
PubChem CID103023798
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
SMILESCn1cc(CCC(=O)CC2(N)CCCC2)cn1
InChIInChI=1S/C13H21N3O/c1-16-10-11(9-15-16)4-5-12(17)8-13(14)6-2-3-7-13/h9-10H,2-8,14H2,1H3
InChIKeyGEOOTXZJAASDDV-UHFFFAOYSA-N
XLogP1.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 119567446
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119567445
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
5-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-one
CID 103024107
7-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103024124

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one?
The IUPAC name of 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one (CID 103023798) is 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one.
What is the SMILES notation for 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one?
The canonical SMILES for 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one is Cn1cc(CCC(=O)CC2(N)CCCC2)cn1.
What is the InChIKey of 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one?
The InChIKey is GEOOTXZJAASDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16-10-11(9-15-16)4-5-12(17)8-13(14)6-2-3-7-13/h9-10H,2-8,14H2,1H3.
What are the key properties of 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one?
1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one is sourced from PubChem (CID 103023798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).