N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C13H16N6 — CID 141191562

IUPACN-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nccc(NCCCc3ncc[nH]3)n2n1
InChIInChI=1S/C13H16N6/c1-10-9-13-17-6-4-12(19(13)18-10)16-5-2-3-11-14-7-8-15-11/h4,6-9,16H,2-3,5H2,1H3,(H,14,15)
InChIKeyFAYJPUDJEGWIAL-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.81
Rot. Bonds5

About N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 141191562) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID141191562
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nccc(NCCCc3ncc[nH]3)n2n1
InChIInChI=1S/C13H16N6/c1-10-9-13-17-6-4-12(19(13)18-10)16-5-2-3-11-14-7-8-15-11/h4,6-9,16H,2-3,5H2,1H3,(H,14,15)
InChIKeyFAYJPUDJEGWIAL-UHFFFAOYSA-N
XLogP1.81
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.81
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-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 90871760
N-[3-(1H-imidazol-2-yl)propyl]imidazo[1,2-a]pyridin-5-amine
CID 102625840
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
CID 103078919
5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
CID 114869393
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826
3-bromo-N-[4-(1H-imidazol-2-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 154788893
7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine
CID 133056357
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 118780034
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
4-chloro-6-[3-(1H-imidazol-2-yl)propylamino]-2-methylpyrimidine-5-carbaldehyde
CID 114156824
5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine
CID 105362857

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 141191562) is N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nccc(NCCCc3ncc[nH]3)n2n1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FAYJPUDJEGWIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-10-9-13-17-6-4-12(19(13)18-10)16-5-2-3-11-14-7-8-15-11/h4,6-9,16H,2-3,5H2,1H3,(H,14,15).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 256.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 141191562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).