[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone

C16H17N7O — CID 95603647

IUPAC[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cnnn1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H17N7O/c24-16(14-6-1-2-7-15(14)23-12-17-19-20-23)22-10-3-5-13(22)11-21-9-4-8-18-21/h1-2,4,6-9,12-13H,3,5,10-11H2/t13-/m1/s1
InChIKeyIUSYRRXTFJPAJQ-CYBMUJFWSA-N
MW323.36 g/mol
LogP1.16
Rot. Bonds4

About [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone

[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone (PubChem CID 95603647) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
PubChem CID95603647
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cnnn1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H17N7O/c24-16(14-6-1-2-7-15(14)23-12-17-19-20-23)22-10-3-5-13(22)11-21-9-4-8-18-21/h1-2,4,6-9,12-13H,3,5,10-11H2/t13-/m1/s1
InChIKeyIUSYRRXTFJPAJQ-CYBMUJFWSA-N
XLogP1.16
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
(5-methyl-2-phenyltriazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324237
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344675
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344674
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95736225
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
(2,5-dichlorothiophen-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603586

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone (CID 95603647) is [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone is O=C(c1ccccc1-n1cnnn1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is IUSYRRXTFJPAJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N7O/c24-16(14-6-1-2-7-15(14)23-12-17-19-20-23)22-10-3-5-13(22)11-21-9-4-8-18-21/h1-2,4,6-9,12-13H,3,5,10-11H2/t13-/m1/s1.
What are the key properties of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone?
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 323.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 95603647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).