[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone

C16H19N5O2 — CID 138379629

IUPAC[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
SMILESCn1nnc(-c2ccc(C(=O)N3CCCC3C3(O)CC3)cc2)n1
InChIInChI=1S/C16H19N5O2/c1-20-18-14(17-19-20)11-4-6-12(7-5-11)15(22)21-10-2-3-13(21)16(23)8-9-16/h4-7,13,23H,2-3,8-10H2,1H3
InChIKeySTBFJJXRPGMEFZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.01
Rot. Bonds3

About [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone

[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone (PubChem CID 138379629) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
PubChem CID138379629
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
SMILESCn1nnc(-c2ccc(C(=O)N3CCCC3C3(O)CC3)cc2)n1
InChIInChI=1S/C16H19N5O2/c1-20-18-14(17-19-20)11-4-6-12(7-5-11)15(22)21-10-2-3-13(21)16(23)8-9-16/h4-7,13,23H,2-3,8-10H2,1H3
InChIKeySTBFJJXRPGMEFZ-UHFFFAOYSA-N
XLogP1.01
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 77089273
7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
CID 138382545
[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97138705
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 56901650
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 95715132
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 50971840
(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135089318
3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
CID 77090341
(3R,4R)-4-hydroxy-1-[4-(2-methyltetrazol-5-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 163318853
(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138385331
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(2-methyltetrazol-5-yl)phenyl]ethane-1,2-dione
CID 69413754
(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138380566

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The IUPAC name of [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone (CID 138379629) is [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone is Cn1nnc(-c2ccc(C(=O)N3CCCC3C3(O)CC3)cc2)n1.
What is the InChIKey of [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The InChIKey is STBFJJXRPGMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-18-14(17-19-20)11-4-6-12(7-5-11)15(22)21-10-2-3-13(21)16(23)8-9-16/h4-7,13,23H,2-3,8-10H2,1H3.
What are the key properties of [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone has a molecular weight of 313.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 138379629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).