N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine

C12H16N4 — CID 100647503

IUPACN-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine
SMILESC=CCN[C@@H](C)c1cnc2ccnn2c1C
InChIInChI=1S/C12H16N4/c1-4-6-13-9(2)11-8-14-12-5-7-15-16(12)10(11)3/h4-5,7-9,13H,1,6H2,2-3H3/t9-/m0/s1
InChIKeyJJYOAFZMRGJXFH-VIFPVBQESA-N
MW216.29 g/mol
LogP1.87
Rot. Bonds4

About N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine

N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine (PubChem CID 100647503) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine
PubChem CID100647503
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine
SMILESC=CCN[C@@H](C)c1cnc2ccnn2c1C
InChIInChI=1S/C12H16N4/c1-4-6-13-9(2)11-8-14-12-5-7-15-16(12)10(11)3/h4-5,7-9,13H,1,6H2,2-3H3/t9-/m0/s1
InChIKeyJJYOAFZMRGJXFH-VIFPVBQESA-N
XLogP1.87
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
Istisociclib
CID 146502834
Pyrazolo(1.5-a)pyrimidine, 5,7-dimethyl-3-iodo-
CID 206164
5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
5-(Piperidin-3-yl)-3-(prop-1-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16046077
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
3-(6-(Isopropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 45486163
8-Pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321947
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
CID 53325935
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine (CID 100647503) is N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine is C=CCN[C@@H](C)c1cnc2ccnn2c1C.
What is the InChIKey of N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine?
The InChIKey is JJYOAFZMRGJXFH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4/c1-4-6-13-9(2)11-8-14-12-5-7-15-16(12)10(11)3/h4-5,7-9,13H,1,6H2,2-3H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine?
N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 100647503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).