N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine

C12H18N4 — CID 115373102

IUPACN-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine
SMILESCCNC(CC)Cc1ccn2nccc2n1
InChIInChI=1S/C12H18N4/c1-3-10(13-4-2)9-11-6-8-16-12(15-11)5-7-14-16/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyZAABXVMZVSUVRX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds5

About N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine

N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine (PubChem CID 115373102) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine
PubChem CID115373102
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine
SMILESCCNC(CC)Cc1ccn2nccc2n1
InChIInChI=1S/C12H18N4/c1-3-10(13-4-2)9-11-6-8-16-12(15-11)5-7-14-16/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyZAABXVMZVSUVRX-UHFFFAOYSA-N
XLogP1.66
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
3-pyrazolo[1,5-a]pyrimidin-5-ylpentan-2-ol
CID 115373137
N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 113296634
3-bromo-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanenitrile
CID 115373176
N',N'-diethyl-N-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372327
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
pyrazolo[1,5-a]pyrimidin-5-olate
CID 51386982
5-ethenylpyrazolo[1,5-a]pyrimidine
CID 70224896
N-[(2-ethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372598
N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine
CID 168943585
2-methyl-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-2-ol
CID 115372604
N-[1-(4-fluorophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372544

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine (CID 115373102) is N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine is CCNC(CC)Cc1ccn2nccc2n1.
What is the InChIKey of N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine?
The InChIKey is ZAABXVMZVSUVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-10(13-4-2)9-11-6-8-16-12(15-11)5-7-14-16/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine?
N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylbutan-2-amine is sourced from PubChem (CID 115373102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).