N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

C20H18N4 — CID 72545501

IUPACN-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc2cc(-c3cnn4ccc(NCC5CC5)nc34)ccc2c1
InChIInChI=1S/C20H18N4/c1-2-4-16-11-17(8-7-15(16)3-1)18-13-22-24-10-9-19(23-20(18)24)21-12-14-5-6-14/h1-4,7-11,13-14H,5-6,12H2,(H,21,23)
InChIKeyKKNZCVDAZYCFTI-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.37
Rot. Bonds4

About N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 72545501) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID72545501
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc2cc(-c3cnn4ccc(NCC5CC5)nc34)ccc2c1
InChIInChI=1S/C20H18N4/c1-2-4-16-11-17(8-7-15(16)3-1)18-13-22-24-10-9-19(23-20(18)24)21-12-14-5-6-14/h1-4,7-11,13-14H,5-6,12H2,(H,21,23)
InChIKeyKKNZCVDAZYCFTI-UHFFFAOYSA-N
XLogP4.37
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 72545501) is N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is c1ccc2cc(-c3cnn4ccc(NCC5CC5)nc34)ccc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is KKNZCVDAZYCFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-2-4-16-11-17(8-7-15(16)3-1)18-13-22-24-10-9-19(23-20(18)24)21-12-14-5-6-14/h1-4,7-11,13-14H,5-6,12H2,(H,21,23).
What are the key properties of N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 314.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 72545501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).