5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H15N7 — CID 71108507

IUPAC5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNCCCc1cc(N)n2ncc(-c3cn[nH]c3)c2n1
InChIInChI=1S/C12H15N7/c13-3-1-2-9-4-11(14)19-12(18-9)10(7-17-19)8-5-15-16-6-8/h4-7H,1-3,13-14H2,(H,15,16)
InChIKeyOOTYSFLEBPCDMI-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.59
Rot. Bonds4

About 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71108507) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71108507
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNCCCc1cc(N)n2ncc(-c3cn[nH]c3)c2n1
InChIInChI=1S/C12H15N7/c13-3-1-2-9-4-11(14)19-12(18-9)10(7-17-19)8-5-15-16-6-8/h4-7H,1-3,13-14H2,(H,15,16)
InChIKeyOOTYSFLEBPCDMI-UHFFFAOYSA-N
XLogP0.59
TPSA110.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71108507) is 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is NCCCc1cc(N)n2ncc(-c3cn[nH]c3)c2n1.
What is the InChIKey of 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OOTYSFLEBPCDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c13-3-1-2-9-4-11(14)19-12(18-9)10(7-17-19)8-5-15-16-6-8/h4-7H,1-3,13-14H2,(H,15,16).
What are the key properties of 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 257.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71108507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).