[4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol

C18H13N7O — CID 170313889

IUPAC[4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol
SMILESOCc1cc(-c2cnc3c(-c4nn[nH]n4)cnn3c2)c2ccccc2c1
InChIInChI=1S/C18H13N7O/c26-10-11-5-12-3-1-2-4-14(12)15(6-11)13-7-19-18-16(8-20-25(18)9-13)17-21-23-24-22-17/h1-9,26H,10H2,(H,21,22,23,24)
InChIKeyNFIPIWCKEKHZRO-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.22
Rot. Bonds3

About [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol

[4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol (PubChem CID 170313889) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol
PubChem CID170313889
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name[4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol
SMILESOCc1cc(-c2cnc3c(-c4nn[nH]n4)cnn3c2)c2ccccc2c1
InChIInChI=1S/C18H13N7O/c26-10-11-5-12-3-1-2-4-14(12)15(6-11)13-7-19-18-16(8-20-25(18)9-13)17-21-23-24-22-17/h1-9,26H,10H2,(H,21,22,23,24)
InChIKeyNFIPIWCKEKHZRO-UHFFFAOYSA-N
XLogP2.22
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol?
The IUPAC name of [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol (CID 170313889) is [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol.
What is the SMILES notation for [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol?
The canonical SMILES for [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol is OCc1cc(-c2cnc3c(-c4nn[nH]n4)cnn3c2)c2ccccc2c1.
What is the InChIKey of [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol?
The InChIKey is NFIPIWCKEKHZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O/c26-10-11-5-12-3-1-2-4-14(12)15(6-11)13-7-19-18-16(8-20-25(18)9-13)17-21-23-24-22-17/h1-9,26H,10H2,(H,21,22,23,24).
What are the key properties of [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol?
[4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol has a molecular weight of 343.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]naphthalen-2-yl]methanol is sourced from PubChem (CID 170313889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).