N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide

C15H23N5O — CID 62405672

IUPACN-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1cnc2cc(C)nn2c1
InChIInChI=1S/C15H23N5O/c1-4-11(2)18-15(21)5-6-16-8-13-9-17-14-7-12(3)19-20(14)10-13/h7,9-11,16H,4-6,8H2,1-3H3,(H,18,21)
InChIKeySYWSWUGUVAZAGF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds7

About N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide

N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide (PubChem CID 62405672) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
PubChem CID62405672
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1cnc2cc(C)nn2c1
InChIInChI=1S/C15H23N5O/c1-4-11(2)18-15(21)5-6-16-8-13-9-17-14-7-12(3)19-20(14)10-13/h7,9-11,16H,4-6,8H2,1-3H3,(H,18,21)
InChIKeySYWSWUGUVAZAGF-UHFFFAOYSA-N
XLogP1.43
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55219703
2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetamide
CID 62404238
ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
CID 55234827
N-butan-2-yl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propanamide
CID 62742182
(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 103924365
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639318
1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
CID 62406382
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62405842
N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
CID 62406558
2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol
CID 66181252
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743449
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide (CID 62405672) is N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1cnc2cc(C)nn2c1.
What is the InChIKey of N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The InChIKey is SYWSWUGUVAZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-11(2)18-15(21)5-6-16-8-13-9-17-14-7-12(3)19-20(14)10-13/h7,9-11,16H,4-6,8H2,1-3H3,(H,18,21).
What are the key properties of N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide is sourced from PubChem (CID 62405672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).