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

C12H14N6 — CID 90871760

IUPACN-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1c[nH]c(CCCNc2ccnc3ccnn23)n1
InChIInChI=1S/C12H14N6/c1(2-10-13-8-9-14-10)5-15-11-3-6-16-12-4-7-17-18(11)12/h3-4,6-9,15H,1-2,5H2,(H,13,14)
InChIKeyLXWVDFXSJYUCLR-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.50
Rot. Bonds5

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

N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 90871760) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID90871760
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1c[nH]c(CCCNc2ccnc3ccnn23)n1
InChIInChI=1S/C12H14N6/c1(2-10-13-8-9-14-10)5-15-11-3-6-16-12-4-7-17-18(11)12/h3-4,6-9,15H,1-2,5H2,(H,13,14)
InChIKeyLXWVDFXSJYUCLR-UHFFFAOYSA-N
XLogP1.50
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.50
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]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 141191562
N-[3-(1H-imidazol-2-yl)propyl]imidazo[1,2-a]pyridin-5-amine
CID 102625840
5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890855
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
N-[3-(1H-imidazol-2-yl)propyl]-6-phenylpyridin-2-amine
CID 91802782
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
3-bromo-N-[4-(1H-imidazol-2-yl)butyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 154788893
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
CID 102769078
3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
CID 103078919
5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56896235
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826
8-N-[3-(1H-imidazol-2-yl)propyl]isoquinoline-5,8-diamine
CID 103139262

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 90871760) is N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine is c1c[nH]c(CCCNc2ccnc3ccnn23)n1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LXWVDFXSJYUCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1(2-10-13-8-9-14-10)5-15-11-3-6-16-12-4-7-17-18(11)12/h3-4,6-9,15H,1-2,5H2,(H,13,14).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine?
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 242.29 g/mol, XLogP of 1.50, 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]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 90871760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).