2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide

C12H21N5O3 — CID 81082805

IUPAC2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
SMILESCNC(=O)Cn1cc(NC(=O)C(N)CCCOC)cn1
InChIInChI=1S/C12H21N5O3/c1-14-11(18)8-17-7-9(6-15-17)16-12(19)10(13)4-3-5-20-2/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,18)(H,16,19)
InChIKeyDXLDIUOUFNCHNG-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.68
Rot. Bonds8

About 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide

2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide (PubChem CID 81082805) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
PubChem CID81082805
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
SMILESCNC(=O)Cn1cc(NC(=O)C(N)CCCOC)cn1
InChIInChI=1S/C12H21N5O3/c1-14-11(18)8-17-7-9(6-15-17)16-12(19)10(13)4-3-5-20-2/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,18)(H,16,19)
InChIKeyDXLDIUOUFNCHNG-UHFFFAOYSA-N
XLogP-0.68
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
CID 62472501
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
CID 64895222
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458
(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
CID 119800898
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide (CID 81082805) is 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide is CNC(=O)Cn1cc(NC(=O)C(N)CCCOC)cn1.
What is the InChIKey of 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide?
The InChIKey is DXLDIUOUFNCHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-14-11(18)8-17-7-9(6-15-17)16-12(19)10(13)4-3-5-20-2/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,18)(H,16,19).
What are the key properties of 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide?
2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide has a molecular weight of 283.33 g/mol, XLogP of -0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide is sourced from PubChem (CID 81082805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).