1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole

C18H23N7 — CID 95340718

IUPAC1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole
SMILESc1ccc(-n2nnnc2CCCN2CCC[C@@H]2Cn2cccn2)cc1
InChIInChI=1S/C18H23N7/c1-2-7-16(8-3-1)25-18(20-21-22-25)10-5-13-23-12-4-9-17(23)15-24-14-6-11-19-24/h1-3,6-8,11,14,17H,4-5,9-10,12-13,15H2/t17-/m1/s1
InChIKeyFBKFAKBKSCTCSX-QGZVFWFLSA-N
MW337.43 g/mol
LogP1.96
Rot. Bonds7

About 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole

1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole (PubChem CID 95340718) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole
PubChem CID95340718
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole
SMILESc1ccc(-n2nnnc2CCCN2CCC[C@@H]2Cn2cccn2)cc1
InChIInChI=1S/C18H23N7/c1-2-7-16(8-3-1)25-18(20-21-22-25)10-5-13-23-12-4-9-17(23)15-24-14-6-11-19-24/h1-3,6-8,11,14,17H,4-5,9-10,12-13,15H2/t17-/m1/s1
InChIKeyFBKFAKBKSCTCSX-QGZVFWFLSA-N
XLogP1.96
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole?
The IUPAC name of 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole (CID 95340718) is 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole?
The canonical SMILES for 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole is c1ccc(-n2nnnc2CCCN2CCC[C@@H]2Cn2cccn2)cc1.
What is the InChIKey of 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole?
The InChIKey is FBKFAKBKSCTCSX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N7/c1-2-7-16(8-3-1)25-18(20-21-22-25)10-5-13-23-12-4-9-17(23)15-24-14-6-11-19-24/h1-3,6-8,11,14,17H,4-5,9-10,12-13,15H2/t17-/m1/s1.
What are the key properties of 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole?
1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole has a molecular weight of 337.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole is sourced from PubChem (CID 95340718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).