(1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine

C16H21N7 — CID 97334618

IUPAC(1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine
SMILESCC(C)n1nnnc1CN[C@H](C)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H21N7/c1-12(2)23-16(19-20-21-23)11-17-13(3)14-5-7-15(8-6-14)22-10-4-9-18-22/h4-10,12-13,17H,11H2,1-3H3/t13-/m1/s1
InChIKeyINWLXKLYOLXCFG-CYBMUJFWSA-N
MW311.39 g/mol
LogP2.29
Rot. Bonds6

About (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine

(1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine (PubChem CID 97334618) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine
PubChem CID97334618
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name(1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine
SMILESCC(C)n1nnnc1CN[C@H](C)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H21N7/c1-12(2)23-16(19-20-21-23)11-17-13(3)14-5-7-15(8-6-14)22-10-4-9-18-22/h4-10,12-13,17H,11H2,1-3H3/t13-/m1/s1
InChIKeyINWLXKLYOLXCFG-CYBMUJFWSA-N
XLogP2.29
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine (CID 97334618) is (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine is CC(C)n1nnnc1CN[C@H](C)c1ccc(-n2cccn2)cc1.
What is the InChIKey of (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine?
The InChIKey is INWLXKLYOLXCFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N7/c1-12(2)23-16(19-20-21-23)11-17-13(3)14-5-7-15(8-6-14)22-10-4-9-18-22/h4-10,12-13,17H,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine?
(1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine has a molecular weight of 311.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 97334618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).